5-chloro-2-(ethanesulfonyl)-N-(4-ethoxy-2-nitrophenyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-(4-ethoxy-2-nitrophenyl)pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-(4-ethoxy-2-nitrophenyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0366 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-(4-ethoxy-2-nitrophenyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 414.82 |
| Molecular Formula: | C15 H15 Cl N4 O6 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1ccc(cc1[N+]([O-])=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.0508 |
| logD: | 0.3648 |
| logSw: | -3.5434 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.285 |
| InChI Key: | WORYASGELNKPKM-UHFFFAOYSA-N |