2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M179-4035 |
| Compound Name: | 2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 445 |
| Molecular Formula: | C21 H21 Cl N4 O S2 |
| Smiles: | CSc1ccc(CNC(CSc2cc(NCc3ccc(cc3)[Cl])ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6418 |
| logD: | 4.6416 |
| logSw: | -4.7901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.411 |
| InChI Key: | RADPFEVTPDOCML-UHFFFAOYSA-N |