N-[(2-bromophenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide
N-[(2-bromophenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | E645-1363 |
| Compound Name: | N-[(2-bromophenyl)methyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 466.33 |
| Molecular Formula: | C23 H20 Br N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCC(NCc1ccccc1[Br])=O)C(c1cccnc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3172 |
| logD: | 4.3172 |
| logSw: | -4.2053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.982 |
| InChI Key: | ITXYYYDWTQVQBZ-UHFFFAOYSA-N |