2-methyl-3-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-3-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-3-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C201-0228 |
| Compound Name: | 2-methyl-3-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 536.55 |
| Molecular Formula: | C29 H27 F3 N4 O3 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1cccc(c1)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7596 |
| logD: | 4.7596 |
| logSw: | -4.6129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.985 |
| InChI Key: | LQCFTSNHTSYMPM-UHFFFAOYSA-N |