4-(azocan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
4-(azocan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
4-(azocan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | D216-2039 |
| Compound Name: | 4-(azocan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 364.39 |
| Molecular Formula: | C14 H19 F3 N4 O2 S |
| Smiles: | C1CCCN(CCC1)C(CCC(Nc1nnc(C(F)(F)F)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.519 |
| logD: | 0.496 |
| logSw: | -2.6736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.385 |
| InChI Key: | JWMCDMSUMIGDMK-UHFFFAOYSA-N |