N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(8-chloro-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-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0698 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C22 H16 Cl N3 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2838 |
| logD: | 3.2838 |
| logSw: | -3.8792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.119 |
| InChI Key: | XGCZNPUFHNLRSO-UHFFFAOYSA-N |