N-{3-[benzyl(methyl)amino]propyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-{3-[benzyl(methyl)amino]propyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0155 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C27 H30 N4 O3 |
| Smiles: | CN(CCCNC(CCC(N1Cc2ccccc2Oc2c1cccn2)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8244 |
| logD: | 1.3272 |
| logSw: | -3.4431 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.555 |
| InChI Key: | JNNRTNFLUHKGCW-UHFFFAOYSA-N |