2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4(3H)-one
2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V009-9382 |
| Compound Name: | 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 419.37 |
| Molecular Formula: | C21 H20 Cl2 N2 O S |
| Smiles: | CC1=C(Cc2ccccc2C)C(N(C)C(=N1)SCc1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1046 |
| logD: | 6.1046 |
| logSw: | -6.0576 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1882 |
| InChI Key: | PKQRNNUJDBURKC-UHFFFAOYSA-N |