3-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
3-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-7239 |
| Compound Name: | 3-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C25 H20 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C1c2ccccc2Oc2ccccc2N=1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1961 |
| logD: | 2.8278 |
| logSw: | -3.7968 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.774 |
| InChI Key: | CHHDGEAXPWAOGI-UHFFFAOYSA-N |