3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-carbonyl}benzonitrile
3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V005-4864 |
| Compound Name: | 3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C27 H21 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCN(CC1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1516 |
| logD: | 2.9662 |
| logSw: | -4.478 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.318 |
| InChI Key: | VTBHHFRYSJZNTQ-UHFFFAOYSA-N |