N-(4-acetamidophenyl)-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
N-(4-acetamidophenyl)-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0032 |
| Compound Name: | N-(4-acetamidophenyl)-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1C)[Cl])=O)c1ccc(cc1)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.823 |
| logD: | 4.8216 |
| logSw: | -4.7084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.905 |
| InChI Key: | XJDQTSWNMWVOJW-UHFFFAOYSA-N |