5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0462 |
| Compound Name: | 5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 487.98 |
| Molecular Formula: | C17 H15 Cl F N5 O3 S3 |
| Smiles: | CCCS(c1ncc(c(C(Nc2nnc(SCc3ccccc3F)s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5306 |
| logD: | 3.1538 |
| logSw: | -4.5001 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | PWFBVCFPBJXVAT-UHFFFAOYSA-N |