5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0401 |
| Compound Name: | 5-chloro-N-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 490.41 |
| Molecular Formula: | C16 H13 Cl2 N5 O3 S3 |
| Smiles: | CCS(c1ncc(c(C(Nc2nnc(SCc3ccc(cc3)[Cl])s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1065 |
| logD: | 2.7296 |
| logSw: | -4.2326 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | WXTYVRIHNIIXMN-UHFFFAOYSA-N |