3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-6369 |
| Compound Name: | 3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C28 H26 N4 O2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(C#N)c1)=O)C1c2cc(C)ccc2Oc2cc(C)ccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7018 |
| logD: | 4.1342 |
| logSw: | -4.5605 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.993 |
| InChI Key: | BBXVTJORGOEEQQ-FQEVSTJZSA-N |