3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-5632 |
| Compound Name: | 3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C26 H22 N4 O3 |
| Smiles: | COc1cccc2C(=Nc3ccccc3Oc12)N1CCN(CC1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0162 |
| logD: | 2.2953 |
| logSw: | -3.6575 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.089 |
| InChI Key: | MRMIYPFXWZKZOJ-UHFFFAOYSA-N |