5-chloro-N-(2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0159 |
Compound Name: | 5-chloro-N-(2-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
Molecular Weight: | 384.8 |
Molecular Formula: | C14 H13 Cl N4 O5 S |
Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1ccccc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.7199 |
logD: | 0.3571 |
logSw: | -3.5305 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 104.162 |
InChI Key: | BCZYJLYNKXDTQD-UHFFFAOYSA-N |