5-chloro-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide
5-chloro-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0426 |
| Compound Name: | 5-chloro-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 449.89 |
| Molecular Formula: | C20 H17 Cl F N3 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1F)(=O)=O)[Cl])=O)c1ccc(cc1)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.2646 |
| logD: | 4.2361 |
| logSw: | -4.3025 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.631 |
| InChI Key: | ROHSKRIMMZCYFM-UHFFFAOYSA-N |