3-methyl-N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide
Chemical Structure Depiction of
3-methyl-N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide
3-methyl-N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | F694-0653 |
| Compound Name: | 3-methyl-N-[3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)phenyl]benzamide |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)NC(Nc1cccc(c1)SC)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0354 |
| logD: | 6.034 |
| logSw: | -5.4238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.452 |
| InChI Key: | KDHHCYINIYDRDS-UHFFFAOYSA-N |