N-(2,4-difluorophenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2,4-difluorophenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0593 |
| Compound Name: | N-(2,4-difluorophenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 414.43 |
| Molecular Formula: | C21 H16 F2 N2 O3 S |
| Smiles: | C1C(c2ccco2)Sc2ccccc2N(CC(Nc2ccc(cc2F)F)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9041 |
| logD: | 3.8882 |
| logSw: | -4.063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.708 |
| InChI Key: | PLIOYZWPKIQPLN-IBGZPJMESA-N |