5-chloro-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0460 |
| Compound Name: | 5-chloro-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 484.02 |
| Molecular Formula: | C18 H18 Cl N5 O3 S3 |
| Smiles: | CCCS(c1ncc(c(C(Nc2nnc(SCc3ccc(C)cc3)s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3899 |
| logD: | 3.013 |
| logSw: | -4.3506 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | PQTCEERXXZFBCI-UHFFFAOYSA-N |