5-chloro-N-(2-ethoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-ethoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2-ethoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0089 |
| Compound Name: | 5-chloro-N-(2-ethoxyphenyl)-2-{[(4-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)SCc1ccc(C)cc1)[Cl])=O)c1ccccc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.3403 |
| logD: | 5.3121 |
| logSw: | -5.762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.156 |
| InChI Key: | GYMXPQBVHIHTCB-UHFFFAOYSA-N |