5-chloro-N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0317 |
| Compound Name: | 5-chloro-N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 476.38 |
| Molecular Formula: | C15 H11 Cl2 N5 O3 S3 |
| Smiles: | CS(c1ncc(c(C(Nc2nnc(SCc3ccccc3[Cl])s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7974 |
| logD: | 2.4205 |
| logSw: | -4.0623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.126 |
| InChI Key: | KXNNJKGQQUPSIO-UHFFFAOYSA-N |