3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1845 |
| Compound Name: | 3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C18 H14 N4 O4 |
| Smiles: | Cn1c2ccccc2nc1C(=C\c1cc(c(c(c1)OC)O)[N+]([O-])=O)\C#N |
| Stereo: | ACHIRAL |
| logP: | 3.378 |
| logD: | 2.3041 |
| logSw: | -3.7132 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.224 |
| InChI Key: | NGZPAHDGBDNDQD-UHFFFAOYSA-N |