N-benzyl-5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
N-benzyl-5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0082 |
| Compound Name: | N-benzyl-5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | [H]N(Cc1ccccc1)C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5587 |
| logD: | 4.5584 |
| logSw: | -4.5141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.966 |
| InChI Key: | AEUUSOMOYRTXIF-UHFFFAOYSA-N |