5-chloro-N-(3-methylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(3-methylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(3-methylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0004 |
| Compound Name: | 5-chloro-N-(3-methylphenyl)-2-{[(2-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)SCc1ccccc1C)[Cl])=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9817 |
| logD: | 5.981 |
| logSw: | -6.0615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.643 |
| InChI Key: | YFEUGAIYUOBLLU-UHFFFAOYSA-N |