N-{3-(azepan-1-yl)-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
N-{3-(azepan-1-yl)-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl}benzamide
N-{3-(azepan-1-yl)-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 4292-0531 |
| Compound Name: | N-{3-(azepan-1-yl)-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | CSc1ccc(/C=C(/C(N2CCCCCC2)=O)NC(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7365 |
| logD: | 3.2024 |
| logSw: | -4.2991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.142 |
| InChI Key: | KNCGLJXGCXUPGM-UHFFFAOYSA-N |