5-chloro-2-(methanesulfonyl)-N-(4-methyl-3-nitrophenyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methanesulfonyl)-N-(4-methyl-3-nitrophenyl)pyrimidine-4-carboxamide
5-chloro-2-(methanesulfonyl)-N-(4-methyl-3-nitrophenyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0031 |
| Compound Name: | 5-chloro-2-(methanesulfonyl)-N-(4-methyl-3-nitrophenyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 370.77 |
| Molecular Formula: | C13 H11 Cl N4 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1ccc(C)c(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0777 |
| logD: | 0.8034 |
| logSw: | -3.0093 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.572 |
| InChI Key: | YPTZCPOWJVHRNQ-UHFFFAOYSA-N |