N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | 8016-8429 |
| Compound Name: | N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C23 H19 N5 O5 |
| Smiles: | C(CNC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccco1)=O)=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8402 |
| logD: | 2.0571 |
| logSw: | -3.413 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.659 |
| InChI Key: | HTXGNAQHNUHVTJ-UHFFFAOYSA-N |