3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V017-0471 |
| Compound Name: | 3-[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carbonyl]benzonitrile |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C27 H24 N4 O3 |
| Smiles: | COc1cccc2C(=Nc3ccccc3Oc12)N1CCCN(CC1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2845 |
| logD: | 2.1878 |
| logSw: | -3.8973 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.42 |
| InChI Key: | ALOKCSXSSQRCEJ-UHFFFAOYSA-N |