1-{2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenylethan-1-one
1-{2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | V004-1549 |
| Compound Name: | 1-{2-methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 479.5 |
| Molecular Formula: | C27 H24 F3 N3 O2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(Cc1ccccc1)=O)C1c2ccccc2Oc2ccc(cc2N=1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1679 |
| logD: | 4.7238 |
| logSw: | -5.1125 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.409 |
| InChI Key: | GMLLVQRDAGDZIF-SFHVURJKSA-N |