3-[4-(diethylamino)-3-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[4-(diethylamino)-3-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-[4-(diethylamino)-3-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8004-9731 |
| Compound Name: | 3-[4-(diethylamino)-3-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C21 H21 N5 O2 |
| Smiles: | CCN(CC)c1ccc(/C=C(C#N)/c2nc3cc(C)ccc3[nH]2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5373 |
| logD: | 4.5369 |
| logSw: | -4.4535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.83 |
| InChI Key: | KHUHYHAYQHBZTO-UHFFFAOYSA-N |