N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl)benzamide
Chemical Structure Depiction of
N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl)benzamide
N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl)benzamide
Compound characteristics
| Compound ID: | Y070-0337 |
| Compound Name: | N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl)benzamide |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C26 H23 N5 O5 |
| Smiles: | C(CNC(/C(=C\c1ccc(c2cccc(c2)[N+]([O-])=O)o1)NC(c1ccccc1)=O)=O)Cn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 3.243 |
| logD: | 2.7019 |
| logSw: | -3.4782 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.17 |
| InChI Key: | YYJWXGFTAYWOPA-UHFFFAOYSA-N |