2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-methoxyphenyl)acetamide
2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C714-0599 |
| Compound Name: | 2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C22 H20 N2 O4 S |
| Smiles: | COc1ccc(cc1)NC(CN1C(CC(c2ccco2)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9706 |
| logD: | 3.9706 |
| logSw: | -4.1271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.95 |
| InChI Key: | DXCAIVGSLZIOIX-FQEVSTJZSA-N |