2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E645-0927 |
| Compound Name: | 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 453.88 |
| Molecular Formula: | C23 H20 Cl N3 O5 |
| Smiles: | COc1ccc(c(CNC(CN2C(c3cccnc3Oc3ccc(cc23)[Cl])=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5708 |
| logD: | 3.5708 |
| logSw: | -4.0547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.178 |
| InChI Key: | ZRBNCVDCJUZIKY-UHFFFAOYSA-N |