3,8-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3,8-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one
3,8-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | C533-1183 |
| Compound Name: | 3,8-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 436.47 |
| Molecular Formula: | C23 H27 F3 N2 O3 |
| Smiles: | CC1CCC2(CC1)C(=C(C)C(=O)O2)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4663 |
| logD: | 4.4663 |
| logSw: | -4.4428 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.973 |
| InChI Key: | UUDUVXDJOMUFQJ-UHFFFAOYSA-N |