5-chloro-N-(4-ethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-ethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(4-ethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0007 |
| Compound Name: | 5-chloro-N-(4-ethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1C)[Cl])=O)c1ccc(cc1)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.9907 |
| logD: | 5.9884 |
| logSw: | -5.9613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.767 |
| InChI Key: | DXPANSUSDNFFIE-UHFFFAOYSA-N |