N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]heptanamide
Chemical Structure Depiction of
N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]heptanamide
N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]heptanamide
Compound characteristics
| Compound ID: | V011-3039 |
| Compound Name: | N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]heptanamide |
| Molecular Weight: | 403.49 |
| Molecular Formula: | C17 H20 F3 N3 O S2 |
| Smiles: | CCCCCCC(Nc1nnc(SCc2ccccc2C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0471 |
| logD: | 6.0448 |
| logSw: | -5.3138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | DHWUFAGPWLLXLN-UHFFFAOYSA-N |