5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0274 |
| Compound Name: | 5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 400.79 |
| Molecular Formula: | C14 H13 Cl N4 O6 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1ccc(cc1[N+]([O-])=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.4002 |
| logD: | -0.2858 |
| logSw: | -3.3419 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.998 |
| InChI Key: | LPYWUTBJMCFYGF-UHFFFAOYSA-N |