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| CAS No.: | 268203-93-6 |
|---|---|
| Name: | Udenafil |
| Molecular Structure: | |
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| Formula: | C25H36N6O4S |
| Molecular Weight: | 516.665 |
| Synonyms: | Benzenesulfonamide,3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-4-propoxy-(9CI);DA 8159;Udenafil;Zydena; |
| Density: | 1.35 g/cm3 |
| Melting Point: | 157-159°C |
| Boiling Point: | 697 °C at 760 mmHg |
| Flash Point: | 375.3 °C |
| Appearance: | Off-White Solid |
| PSA: | 130.59000 |
| LogP: | 4.23710 |
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| Conditions | Yield |
|---|---|
| In ethanol at 50℃; for 0.333333h; |
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Specification
The Udenafil is an organic compound with the formula C25H36N6O4S. The IUPAC name of this chemical is 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide. With the CAS registry number 268203-93-6, it is also named as Zydena. Besides, udenafil is a drug used in urology to treat erectile dysfunction.
Physical properties about Udenafil are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.57; (8)#H bond acceptors: 10; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 108.72 Å2; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 138.95 cm3; (14)Molar Volume: 381.4 cm3; (15)Polarizability: 55.08×10-24cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 375.3 °C; (19)Enthalpy of Vaporization: 102.07 kJ/mol; (20)Boiling Point: 697 °C at 760 mmHg; (21)Vapour Pressure: 2.83E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\N=C(/Nc1c(nn(c12)C)CCC)c3cc(ccc3OCCC)S(=O)(=O)NCCC4N(C)CCC4
(2)InChI: InChI=1/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)
(3)InChIKey: IYFNEFQTYQPVOC-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)
(5)Std. InChIKey: IYFNEFQTYQPVOC-UHFFFAOYSA-N