5-chloro-N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0029 |
| Compound Name: | 5-chloro-N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C20 H17 Cl F N3 O2 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O)c1ccccc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.946 |
| logD: | 4.9178 |
| logSw: | -4.8644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.156 |
| InChI Key: | ROXVRIAGOHYZJS-UHFFFAOYSA-N |