1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V004-3790 |
| Compound Name: | 1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 489.54 |
| Molecular Formula: | C26 H30 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(CC(C)(C)C)=O)C1c2ccc(cc2Oc2ccc(cc2N=1)C(F)(F)F)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.45 |
| logD: | 5.081 |
| logSw: | -5.5267 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.224 |
| InChI Key: | KWLWMSVPLXXORA-INIZCTEOSA-N |