N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0489 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C27 H30 N4 O3 |
| Smiles: | CCN(CCCNC(CN1C(c2cccnc2Oc2ccc(C)cc12)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.236 |
| logD: | 4.2037 |
| logSw: | -4.1742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.835 |
| InChI Key: | HNIUAOCTYAEGPH-UHFFFAOYSA-N |