6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4802-0050 |
| Compound Name: | 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1c2cc(ccc2nc(NC2NC(CSc3ccc(cc3)[Cl])=CC(N=2)=O)n1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6173 |
| logD: | 3.7264 |
| logSw: | -4.8339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.233 |
| InChI Key: | WBEJLEQBIGKWIQ-UHFFFAOYSA-N |