5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0399 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 473.95 |
| Molecular Formula: | C16 H13 Cl F N5 O3 S3 |
| Smiles: | CCS(c1ncc(c(C(Nc2nnc(SCc3ccc(cc3)F)s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5408 |
| logD: | 2.1639 |
| logSw: | -3.8225 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | STMZDQVBLSURLA-UHFFFAOYSA-N |