N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E986-0836 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C25 H23 N3 O6 |
| Smiles: | COc1cccc2CN(C(CCC(NCc3ccc4c(c3)OCO4)=O)=O)c3cccnc3Oc12 |
| Stereo: | ACHIRAL |
| logP: | 2.816 |
| logD: | 2.816 |
| logSw: | -3.3921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.05 |
| InChI Key: | UEMQYUJNIUYUSK-UHFFFAOYSA-N |