5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0579 |
| Compound Name: | 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 477 |
| Molecular Formula: | C21 H21 Cl N4 O3 S2 |
| Smiles: | [H]N(CCc1ccc(cc1)S(N)(=O)=O)C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8529 |
| logD: | 2.8521 |
| logSw: | -3.5739 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.41 |
| InChI Key: | JXTAYZJWGRBAPJ-UHFFFAOYSA-N |