2-{[(3-chlorophenyl)methyl]sulfanyl}-6-ethyl-3-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-6-ethyl-3-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-6-ethyl-3-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V029-6284 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-6-ethyl-3-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 398.95 |
| Molecular Formula: | C22 H23 Cl N2 O S |
| Salt: | not_available |
| Smiles: | CCC1=C(Cc2cccc(C)c2)C(N(C)C(=N1)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7417 |
| logD: | 5.7417 |
| logSw: | -5.7612 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.7951 |
| InChI Key: | PAJDEVBZHSWLMK-UHFFFAOYSA-N |