N-[(5-bromo-2-methoxyphenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | E645-1426 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C24 H22 Br N3 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCC(NCc1cc(ccc1OC)[Br])=O)C(c1cccnc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3385 |
| logD: | 4.3385 |
| logSw: | -4.2487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.612 |
| InChI Key: | MBTOBDOWWATCBT-UHFFFAOYSA-N |