N-{[4-(methylsulfanyl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | C700-2255 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C23 H29 N3 O3 S2 |
| Smiles: | CSc1ccc(CNC(c2ccc(c(c2)S(N2CCCC2)(=O)=O)N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9339 |
| logD: | 3.9337 |
| logSw: | -4.0463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.246 |
| InChI Key: | VRUJURZSWJHYAF-UHFFFAOYSA-N |