5-chloro-2-[(4-methylphenyl)methanesulfonyl]-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-[(4-methylphenyl)methanesulfonyl]-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
5-chloro-2-[(4-methylphenyl)methanesulfonyl]-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0841 |
| Compound Name: | 5-chloro-2-[(4-methylphenyl)methanesulfonyl]-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide |
| Molecular Weight: | 484.02 |
| Molecular Formula: | C18 H18 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O)c1nnc(SCCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5388 |
| logD: | 2.9127 |
| logSw: | -4.4457 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | AUPATGMDMNKTBE-UHFFFAOYSA-N |