N-[4-(azepan-1-yl)-3-{[3-(methylsulfanyl)phenyl]carbamamido}phenyl]benzamide
Chemical Structure Depiction of
N-[4-(azepan-1-yl)-3-{[3-(methylsulfanyl)phenyl]carbamamido}phenyl]benzamide
N-[4-(azepan-1-yl)-3-{[3-(methylsulfanyl)phenyl]carbamamido}phenyl]benzamide
Compound characteristics
| Compound ID: | F694-1402 |
| Compound Name: | N-[4-(azepan-1-yl)-3-{[3-(methylsulfanyl)phenyl]carbamamido}phenyl]benzamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(Nc1cc(ccc1N1CCCCCC1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.41 |
| logD: | 6.151 |
| logSw: | -5.5649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.417 |
| InChI Key: | QHLSLYSDNMAOPW-UHFFFAOYSA-N |