2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(3-nitrophenyl)acetamide
2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C714-0612 |
| Compound Name: | 2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | C1C(c2ccco2)Sc2ccccc2N(CC(Nc2cccc(c2)[N+]([O-])=O)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.056 |
| logD: | 4.0546 |
| logSw: | -4.2631 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.788 |
| InChI Key: | RZINUOXFSASMGO-IBGZPJMESA-N |