5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0398 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C17 H16 Cl N5 O3 S3 |
| Smiles: | CCS(c1ncc(c(C(Nc2nnc(SCc3ccc(C)cc3)s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9351 |
| logD: | 2.5582 |
| logSw: | -4.144 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | PAHCNMMIHVZLRF-UHFFFAOYSA-N |