N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0649 |
| Compound Name: | N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 489.01 |
| Molecular Formula: | C22 H21 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1ccc(cc1)S(N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8541 |
| logD: | 4.6245 |
| logSw: | -4.8325 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.479 |
| InChI Key: | KCQLRPVTUDSBFN-UHFFFAOYSA-N |