3-[2-methyl-4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[2-methyl-4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
3-[2-methyl-4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V017-0662 |
| Compound Name: | 3-[2-methyl-4-(2-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C27 H24 N4 O2 |
| Smiles: | CC1CN(CCN1C(c1cccc(C#N)c1)=O)C1c2cc(C)ccc2Oc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2063 |
| logD: | 3.9431 |
| logSw: | -4.4589 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.993 |
| InChI Key: | BDWZAGSNBHZMKK-IBGZPJMESA-N |