N-(1-benzylpiperidin-4-yl)-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-(1-benzylpiperidin-4-yl)-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0105 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C28 H30 N4 O3 |
| Smiles: | C1CN(CCC1NC(CCC(N1Cc2ccccc2Oc2c1cccn2)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3403 |
| logD: | 1.7825 |
| logSw: | -3.6009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.886 |
| InChI Key: | ILYGNVVCVGGWAD-UHFFFAOYSA-N |