5-chloro-2-(ethanesulfonyl)-N-(2-methyl-5-nitrophenyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-(2-methyl-5-nitrophenyl)pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-(2-methyl-5-nitrophenyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0113 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-(2-methyl-5-nitrophenyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 384.8 |
| Molecular Formula: | C14 H13 Cl N4 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1cc(ccc1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3147 |
| logD: | 0.9284 |
| logSw: | -3.3442 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.463 |
| InChI Key: | UPUWOOIKOLZALA-UHFFFAOYSA-N |