2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2367-1318 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]prop-2-enenitrile |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | CC1CCN(CC1)c1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7531 |
| logD: | 4.7522 |
| logSw: | -4.5903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.546 |
| InChI Key: | LAJYTFMCMKGYEA-UHFFFAOYSA-N |