N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0203 |
| Compound Name: | N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C20 H19 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccc(cc1)S(N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1965 |
| logD: | 3.967 |
| logSw: | -4.3099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.479 |
| InChI Key: | YHHKCDMYQXQDTI-UHFFFAOYSA-N |