N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0382 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C27 H26 N2 O6 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(NCc2ccc3c(c2)OCO3)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9407 |
| logD: | 3.9407 |
| logSw: | -4.0565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.526 |
| InChI Key: | QSAZFNSPKBDWMM-VWLOTQADSA-N |