3-[(2-chlorophenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one
3-[(2-chlorophenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0046 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one |
| Molecular Weight: | 408.91 |
| Molecular Formula: | C21 H17 Cl N4 O S |
| Smiles: | Cc1ccc(CSC2=Nc3c(C(N2Cc2ccccc2[Cl])=O)nccn3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2991 |
| logD: | 4.2991 |
| logSw: | -4.3227 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.304 |
| InChI Key: | PKQANAPUHKNVDZ-UHFFFAOYSA-N |