N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,2-dimethyl-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-(2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | K783-5769 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CC1(C)CC(N(CC(NCc2ccc3c(c2)OCO3)=O)c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7824 |
| logD: | 3.7824 |
| logSw: | -3.9575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.537 |
| InChI Key: | HSFYLTNXBJZGBJ-UHFFFAOYSA-N |