N-[(4-ethoxyphenyl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
N-[(4-ethoxyphenyl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E986-0951 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C26 H27 N3 O5 |
| Smiles: | CCOc1ccc(CNC(CCC(N2Cc3cccc(c3Oc3c2cccn3)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2718 |
| logD: | 3.2718 |
| logSw: | -3.4064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.058 |
| InChI Key: | URLKECWAXYAPRU-UHFFFAOYSA-N |