3-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carbonyl}benzonitrile
3-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V004-3793 |
| Compound Name: | 3-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carbonyl}benzonitrile |
| Molecular Weight: | 490.48 |
| Molecular Formula: | C27 H21 F3 N4 O2 |
| Smiles: | C1CN(CCN(C1)C(c1cccc(C#N)c1)=O)C1c2ccccc2Oc2cc(ccc2N=1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3619 |
| logD: | 3.2597 |
| logSw: | -4.5411 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.105 |
| InChI Key: | LHQGOQBOXRTUSD-UHFFFAOYSA-N |