2-[(8-chloro-4-methylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(8-chloro-4-methylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-[(8-chloro-4-methylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | Y020-1947 |
Compound Name: | 2-[(8-chloro-4-methylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one |
Molecular Weight: | 423.92 |
Molecular Formula: | C21 H18 Cl N5 O S |
Smiles: | Cc1ccc(cc1)SCC1=CC(NC(Nc2nc(C)c3cccc(c3n2)[Cl])=N1)=O |
Stereo: | ACHIRAL |
logP: | 4.9141 |
logD: | 4.5364 |
logSw: | -4.8042 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.46 |
InChI Key: | OJUPXGAOCDABEP-UHFFFAOYSA-N |