5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0250 |
| Compound Name: | 5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C17 H16 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1C)(=O)=O)[Cl])=O)c1nnc(SCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1002 |
| logD: | 1.1293 |
| logSw: | -4.2128 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.548 |
| InChI Key: | DFGQQNAKNOQOCZ-UHFFFAOYSA-N |