N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide
Chemical Structure Depiction of
N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide
N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide
Compound characteristics
| Compound ID: | D319-0078 |
| Compound Name: | N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C13 H11 N5 O S3 |
| Smiles: | [H]N(C(c1csnn1)=O)c1nnc(SCc2ccc(C)cc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4115 |
| logD: | 3.3746 |
| logSw: | -3.6147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.569 |
| InChI Key: | KRYCITBGOFHXMD-UHFFFAOYSA-N |