3-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--acetic acid (1/1)
Chemical Structure Depiction of
3-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--acetic acid (1/1)
3-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8007-2633 |
| Compound Name: | 3-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--acetic acid (1/1) |
| Molecular Weight: | 534.57 |
| Molecular Formula: | C25 H26 N6 O4 |
| Salt: | CH3COOH |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1cc(c(cc1N1CCOCC1)N1CCOCC1)[N+]([O-])=O)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.7503 |
| logD: | 3.7501 |
| logSw: | -4.0751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.515 |
| InChI Key: | VIPZYSUMBGNFAU-CPNJWEJPSA-N |