5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0557 |
| Compound Name: | 5-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C17 H15 Cl F N5 O S3 |
| Smiles: | CCCSc1ncc(c(C(Nc2nnc(SCc3ccccc3F)s2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8265 |
| logD: | 5.3817 |
| logSw: | -5.952 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | CNQRBCBPPSGHHR-UHFFFAOYSA-N |