N-(2H-1,3-benzodioxol-5-yl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0200 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C24 H20 N2 O4 S |
| Smiles: | C1C(c2ccccc2)Sc2ccccc2N(CC(Nc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6551 |
| logD: | 4.6551 |
| logSw: | -4.5992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.943 |
| InChI Key: | LBIWUKVMZLNOAT-QFIPXVFZSA-N |