N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide
Chemical Structure Depiction of
N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide
N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | F694-0825 |
| Compound Name: | N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(Nc1cc(ccc1N1CCCC1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5593 |
| logD: | 5.5584 |
| logSw: | -5.4008 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.452 |
| InChI Key: | NGXCXGNNILLTRD-UHFFFAOYSA-N |