4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | V012-0492 |
| Compound Name: | 4-tert-butyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C21 H20 F3 N3 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nnc(SCc2ccc(cc2)C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8792 |
| logD: | 6.8231 |
| logSw: | -5.6834 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | OOEZAVWDQYVAIX-UHFFFAOYSA-N |