N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0776 |
| Compound Name: | N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 491.03 |
| Molecular Formula: | C22 H23 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC(C)C)[Cl])=O)c1ccc(cc1)S(N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.999 |
| logD: | 4.7695 |
| logSw: | -5.0171 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.479 |
| InChI Key: | PBJPCHYQRNXITH-UHFFFAOYSA-N |