3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-8581 |
| Compound Name: | 3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C27 H24 N4 O3 |
| Smiles: | CC1CN(CCN1C(c1cccc(C#N)c1)=O)C1c2cc(ccc2Oc2ccccc2N=1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9152 |
| logD: | 3.3146 |
| logSw: | -4.2301 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.536 |
| InChI Key: | LXPKDPQCINEGTQ-SFHVURJKSA-N |