N-(3,5-dimethylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-(3,5-dimethylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0095 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C22 H19 N3 O3 |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C(c2cccnc2Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8706 |
| logD: | 3.8706 |
| logSw: | -3.9826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.681 |
| InChI Key: | HJJJKAAZUQRMAI-UHFFFAOYSA-N |