3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-6586 |
| Compound Name: | 3-[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C28 H26 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)C(=Nc1ccc(C)cc1O2)N1CCCN(CC1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3848 |
| logD: | 3.2148 |
| logSw: | -4.49 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.105 |
| InChI Key: | BBVWCJJXTBQXGQ-UHFFFAOYSA-N |