ethyl 2-{2-[2-(furan-2-yl)-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-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[2-(furan-2-yl)-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: | C714-0639 |
| Compound Name: | ethyl 2-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 510.63 |
| Molecular Formula: | C26 H26 N2 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CN1C(CC(c2ccco2)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.08 |
| logD: | 2.7431 |
| logSw: | -4.8203 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.875 |
| InChI Key: | OJTMHQNEEOJVAH-NRFANRHFSA-N |