3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V017-4196 |
| Compound Name: | 3-[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C27 H24 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)Oc1ccc(cc1C(=N2)N1CCN(CC1)C(c1cccc(C#N)c1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8254 |
| logD: | 2.5393 |
| logSw: | -4.1958 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.318 |
| InChI Key: | YGPISKDHJOMSNO-UHFFFAOYSA-N |