methyl 3-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)amino]benzoate
methyl 3-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | P617-0458 |
| Compound Name: | methyl 3-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)amino]benzoate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(Nc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2195 |
| logD: | 4.219 |
| logSw: | -4.299 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.714 |
| InChI Key: | XJSVMZUTPXDMSL-UHFFFAOYSA-N |