N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]azepane-1-carboxamide
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]azepane-1-carboxamide
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]azepane-1-carboxamide
Compound characteristics
| Compound ID: | C097-0287 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]azepane-1-carboxamide |
| Molecular Weight: | 364.75 |
| Molecular Formula: | C15 H16 Cl F3 N2 O3 |
| Smiles: | C1CCCN(CC1)C(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3692 |
| logD: | 4.0209 |
| logSw: | -4.6037 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.13 |
| InChI Key: | NFMXCTYYFBTQOB-HNNXBMFYSA-N |