N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | 8016-8432 |
| Compound Name: | N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide |
| Molecular Weight: | 489.92 |
| Molecular Formula: | C25 H20 Cl N5 O4 |
| Smiles: | C(CNC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccccc1[Cl])=O)=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.0228 |
| logD: | 1.9257 |
| logSw: | -4.4469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.081 |
| InChI Key: | RQYVYGSCGMOXRP-UHFFFAOYSA-N |