5-chloro-N-(2-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0062 |
| Compound Name: | 5-chloro-N-(2-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O)c1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.9605 |
| logD: | 4.9586 |
| logSw: | -4.9068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.946 |
| InChI Key: | VNONAJIOMLHGLL-UHFFFAOYSA-N |