1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V005-5022 |
| Compound Name: | 1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one |
| Molecular Weight: | 537.58 |
| Molecular Formula: | C30 H30 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1C)C1c2cc(ccc2Oc2ccc(cc2N=1)C(F)(F)F)OC)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1527 |
| logD: | 5.2206 |
| logSw: | -5.6565 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.48 |
| InChI Key: | SGHQCOMPIVIMCO-UHFFFAOYSA-N |