N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0058 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | C1CSc2ccccc2N(CC(NCc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7313 |
| logD: | 2.7313 |
| logSw: | -3.2561 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.537 |
| InChI Key: | YBBQMACMHPAOTR-UHFFFAOYSA-N |