N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl)benzamide
Chemical Structure Depiction of
N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl)benzamide
N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl)benzamide
Compound characteristics
| Compound ID: | 4292-0501 |
| Compound Name: | N-(3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl)benzamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CSc1ccc(\C=C(/C(NCCCn2ccnc2)=O)NC(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8099 |
| logD: | 1.7654 |
| logSw: | -3.3228 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.218 |
| InChI Key: | HQCWXFOTJRTBCM-UHFFFAOYSA-N |