N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0189 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C24 H22 Br N3 O4 |
| Smiles: | COc1ccc(cc1CNC(CCC(N1Cc2ccccc2Oc2c1cccn2)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9853 |
| logD: | 3.9853 |
| logSw: | -4.1292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.25 |
| InChI Key: | PKQRDHWHGQHEJF-UHFFFAOYSA-N |