5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0249 |
| Compound Name: | 5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 444.38 |
| Molecular Formula: | C15 H11 Cl2 N5 O S3 |
| Smiles: | CSc1ncc(c(C(Nc2nnc(SCc3ccc(cc3)[Cl])s2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1252 |
| logD: | 4.6805 |
| logSw: | -5.5017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | JJNILZNRDIHHHX-UHFFFAOYSA-N |