N-[1-(5-methylfuran-2-yl)-3-{4-[(4-nitrophenyl)sulfanyl]anilino}-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[1-(5-methylfuran-2-yl)-3-{4-[(4-nitrophenyl)sulfanyl]anilino}-3-oxoprop-1-en-2-yl]benzamide
N-[1-(5-methylfuran-2-yl)-3-{4-[(4-nitrophenyl)sulfanyl]anilino}-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8013-4375 |
| Compound Name: | N-[1-(5-methylfuran-2-yl)-3-{4-[(4-nitrophenyl)sulfanyl]anilino}-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | Cc1ccc(\C=C(/C(Nc2ccc(cc2)Sc2ccc(cc2)[N+]([O-])=O)=O)NC(c2ccccc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.1774 |
| logD: | 6.1745 |
| logSw: | -5.6596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.627 |
| InChI Key: | MSSNTQSYUNPUPX-KOEQRZSOSA-N |