2,2-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
2,2-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | V004-0636 |
| Compound Name: | 2,2-dimethyl-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C15 H16 F3 N3 O S2 |
| Smiles: | CC(C)(C)C(Nc1nnc(SCc2ccccc2C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9989 |
| logD: | 4.9942 |
| logSw: | -4.6019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.236 |
| InChI Key: | VLTDGTMRRZMGHA-UHFFFAOYSA-N |