ethyl 4-[2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
ethyl 4-[2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C714-0210 |
| Compound Name: | ethyl 4-[2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(CC(c2ccccc2)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4234 |
| logD: | 5.4233 |
| logSw: | -5.3869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.581 |
| InChI Key: | MAUOXWGWIAQRHQ-QHCPKHFHSA-N |