2-{[(2,4-dichlorophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2,4-dichlorophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one
2-{[(2,4-dichlorophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4065-0445 |
| Compound Name: | 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 287.16 |
| Molecular Formula: | C11 H8 Cl2 N2 O S |
| Smiles: | C(c1ccc(cc1[Cl])[Cl])SC1NC(C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0311 |
| logD: | 2.8528 |
| logSw: | -3.5361 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.595 |
| InChI Key: | NKZWWGQHTMRCTD-UHFFFAOYSA-N |