5-chloro-N-(2,4-dimethylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2,4-dimethylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2,4-dimethylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0111 |
| Compound Name: | 5-chloro-N-(2,4-dimethylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 397.93 |
| Molecular Formula: | C21 H20 Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1cccc(C)c1)[Cl])=O)c1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.1491 |
| logD: | 6.1466 |
| logSw: | -6.1315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.946 |
| InChI Key: | KJLIBGYJTZBLAH-UHFFFAOYSA-N |