3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V005-5641 |
| Compound Name: | 3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C28 H26 N4 O3 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(C#N)c1)=O)C1c2cc(ccc2Oc2cc(C)ccc2N=1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4107 |
| logD: | 3.3829 |
| logSw: | -4.529 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.536 |
| InChI Key: | YXBNHBIBVVZTFN-IBGZPJMESA-N |