N-[(5-bromo-2-methoxyphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | E645-2043 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C24 H22 Br N3 O4 |
| Smiles: | COc1ccc(cc1CNC(CCCN1C(c2cccnc2Oc2ccccc12)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5945 |
| logD: | 3.5945 |
| logSw: | -3.7849 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.612 |
| InChI Key: | AHNKZYLGAYEPSR-UHFFFAOYSA-N |