N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | E645-1905 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2cccnc2Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6143 |
| logD: | 2.6143 |
| logSw: | -3.3834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.097 |
| InChI Key: | OMQSUWUIXKLAEH-UHFFFAOYSA-N |