5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0439 |
| Compound Name: | 5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 428.85 |
| Molecular Formula: | C16 H17 Cl N4 O6 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1ccc(cc1[N+]([O-])=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.5055 |
| logD: | 0.8195 |
| logSw: | -3.7698 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.285 |
| InChI Key: | JYSHIVGZTVJDDR-UHFFFAOYSA-N |