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CAS No.: | 896466-04-9 |
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Name: | AT9283 |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C19H23N7O2 |
Molecular Weight: | 381.437 |
Synonyms: | Urea, N-cyclopropyl-N'-[3-[6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-; |
Density: | 1.45 g/cm3 |
PSA: | 110.96000 |
LogP: | 2.47090 |
The systematic name of 1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea is 1-cyclopropyl-3-[3-[5-(morpholinomethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea. With the CAS registry number 896466-04-9, it is also named as Urea, N-cyclopropyl-N'-[3-[6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-. In addition, its molecular formula is C19H23N7O2 and its molecular weight is 381.43.
The other characteristics of 1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea can be summarized as: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.63; (4)H bond acceptors: 9; (5)H bond donors: 4; (6)Freely Rotating Bonds: 5; (7)Nominal mass: 381; (8)Average mass: 381.4316; (9)Monoisotopic mass: 381.191323; (10)Polar Surface Area: 110.96 Å2; (11)Index of Refraction: 1.714; (12)Molar Refractivity: 103.06 cm3; (13)Molar Volume: 262.4 cm3; (14)Polarizability: 40.85×10-24cm3; (15)Surface Tension: 86.5 dyne/cm; (16)Density: 1.45 g/cm3.
People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5
(2)InChI:InChI=1/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
(3)InChIKey:LOLPPWBBNUVNQZ-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
(5)Std. InChIKey:LOLPPWBBNUVNQZ-UHFFFAOYSA-N