4-tert-butyl-N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-tert-butyl-N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V013-2999 |
| Compound Name: | 4-tert-butyl-N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C21 H20 N4 O S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nnc(SCc2ccc(C#N)cc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6609 |
| logD: | 5.6047 |
| logSw: | -5.4111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.02 |
| InChI Key: | JQODQUYRCMUTMS-UHFFFAOYSA-N |