2-(4-fluorophenyl)-1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one
2-(4-fluorophenyl)-1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V005-5554 |
| Compound Name: | 2-(4-fluorophenyl)-1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 513.49 |
| Molecular Formula: | C27 H23 F4 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCN(CC1)C(Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9229 |
| logD: | 3.7375 |
| logSw: | -4.721 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.734 |
| InChI Key: | VBOWTYZSLRNENX-UHFFFAOYSA-N |