N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0067 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(c2cccnc2Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6684 |
| logD: | 2.6684 |
| logSw: | -3.437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.119 |
| InChI Key: | HJXCPFRRMIZZLO-UHFFFAOYSA-N |