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| CAS No.: | 194804-75-6 |
|---|---|
| Name: | Garenoxacin |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C23H20F2N2O4 |
| Molecular Weight: | 426.42 |
| Synonyms: | 3-Quinolinecarboxylicacid, 1-cyclopropyl-8-(difluoromethoxy)-7-(2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-,(+)-;Ganefloxacin;Garenoxacin;T 3811; |
| Density: | 1.421g/cm3 |
| Melting Point: | 226-227°; mp 234-235° |
| Boiling Point: | 581.5 °C at 760 mmHg |
| Flash Point: | 305.5 °C |
| PSA: | 80.56000 |
| LogP: | 4.79600 |
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Specification
The Garenoxacin with the cas number 194804-75-6 is also called 3-Quinolinecarboxylicacid,1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-. The IUPAC name is 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid. Its molecular formula is C23H20F2N2O4.
The properties of the chemical are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.87; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 106.88 cm3; (15)Molar Volume: 299.9 cm3; (16)Polarizability: 42.37×10-24cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Enthalpy of Vaporization: 91.47 kJ/mol; (19)Vapour Pressure: 2.29×10-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc1c(ccc2c1N(/C=C(\C2=O)C(=O)O)C3CC3)c4ccc5c(c4)CN[C@@H]5C
(2)InChI: InChI=1/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m1/s1
(3)InChIKey: NJDRXTDGYFKORP-LLVKDONJBG