5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0554 |
| Compound Name: | 5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 452.02 |
| Molecular Formula: | C18 H18 Cl N5 O S3 |
| Smiles: | CCCSc1ncc(c(C(Nc2nnc(SCc3cccc(C)c3)s2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1865 |
| logD: | 5.7417 |
| logSw: | -6.1144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | OKHGDQXCYIKCEI-UHFFFAOYSA-N |