N-{[4-(methylsulfanyl)phenyl]methyl}-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
Compound characteristics
| Compound ID: | L010-0079 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Smiles: | CSc1ccc(CNC(c2ccc(cc2)c2cc(ncn2)N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9942 |
| logD: | 4.9932 |
| logSw: | -4.6747 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.472 |
| InChI Key: | CMLQCHDUNVCNAO-UHFFFAOYSA-N |