3-{4-[(6-oxopyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)acetyl]piperazin-1-yl}propanenitrile
Chemical Structure Depiction of
3-{4-[(6-oxopyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)acetyl]piperazin-1-yl}propanenitrile
3-{4-[(6-oxopyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)acetyl]piperazin-1-yl}propanenitrile
Compound characteristics
| Compound ID: | IB06-8161 |
| Compound Name: | 3-{4-[(6-oxopyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)acetyl]piperazin-1-yl}propanenitrile |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | C(CN1CCN(CC1)C(CN1C(c2ccccc2Oc2c1cccn2)=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.5 |
| logD: | 0.5 |
| logSw: | -1.75 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 136.21 |
| InChI Key: | ZMWWKASMLOPOQI-UHFFFAOYSA-N |