ethyl 2-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
ethyl 2-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C714-0614 |
| Compound Name: | ethyl 2-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C24 H22 N2 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(CC(c2ccco2)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2565 |
| logD: | 4.2301 |
| logSw: | -4.1721 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.462 |
| InChI Key: | NAUCYFLOUSWIHF-NRFANRHFSA-N |