ethyl 2-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C714-0072 |
| Compound Name: | ethyl 2-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C22 H24 N2 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CN1C(CCSc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3323 |
| logD: | 1.9954 |
| logSw: | -4.2729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.568 |
| InChI Key: | QACBEAKLUJIPQJ-UHFFFAOYSA-N |