ethyl 3-[2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 3-[2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamido]benzoate
ethyl 3-[2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E523-0104 |
| Compound Name: | ethyl 3-[2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamido]benzoate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2021 |
| logD: | 4.202 |
| logSw: | -4.2287 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.356 |
| InChI Key: | FVDHASJJQJYGDC-UHFFFAOYSA-N |