3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-8599 |
| Compound Name: | 3-[4-(2-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C27 H24 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1ccccc1O2)N1CCCN(CC1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5981 |
| logD: | 2.3863 |
| logSw: | -3.991 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.649 |
| InChI Key: | HXANYULZVYJKFD-UHFFFAOYSA-N |