5-chloro-N-(4-methyl-3-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-methyl-3-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(4-methyl-3-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0201 |
Compound Name: | 5-chloro-N-(4-methyl-3-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
Molecular Weight: | 398.82 |
Molecular Formula: | C15 H15 Cl N4 O5 S |
Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1ccc(C)c(c1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.1831 |
logD: | 1.9088 |
logSw: | -3.4825 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 104.859 |
InChI Key: | INEONGTXFKNLRN-UHFFFAOYSA-N |