methyl 2-[2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamido]benzoate
methyl 2-[2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E645-0694 |
| Compound Name: | methyl 2-[2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamido]benzoate |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C22 H16 Cl N3 O5 |
| Smiles: | COC(c1ccccc1NC(CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5175 |
| logD: | 3.5018 |
| logSw: | -3.9185 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.158 |
| InChI Key: | FNHUQLKOWOCCST-UHFFFAOYSA-N |