3,3-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
3,3-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | V011-2990 |
| Compound Name: | 3,3-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C16 H18 F3 N3 O S2 |
| Smiles: | CC(C)(C)CC(Nc1nnc(SCc2ccccc2C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5402 |
| logD: | 5.5345 |
| logSw: | -5.4612 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | ISAZSNFTQABODF-UHFFFAOYSA-N |