5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0245 |
| Compound Name: | 5-chloro-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 423.96 |
| Molecular Formula: | C16 H14 Cl N5 O S3 |
| Smiles: | Cc1cccc(CSc2nnc(NC(c3c(cnc(n3)SC)[Cl])=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4547 |
| logD: | 5.0099 |
| logSw: | -5.9075 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | UGWZXHHIAMPGDO-UHFFFAOYSA-N |