ethyl 3-[4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 3-[4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamido]benzoate
ethyl 3-[4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | E645-2196 |
| Compound Name: | ethyl 3-[4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamido]benzoate |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C26 H25 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(CCCN1C(c2cccnc2Oc2ccc(C)cc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2737 |
| logD: | 4.2737 |
| logSw: | -4.1785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.413 |
| InChI Key: | RLHZBAVNFSLQFG-UHFFFAOYSA-N |