N-(4-bromo-3-methylphenyl)-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
N-(4-bromo-3-methylphenyl)-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | E645-2240 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 480.36 |
| Molecular Formula: | C24 H22 Br N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(Nc1ccc(c(C)c1)[Br])=O)C(c1cccnc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6663 |
| logD: | 4.6661 |
| logSw: | -4.2741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.66 |
| InChI Key: | JYBOHOZASQNHID-UHFFFAOYSA-N |