N-benzyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0380 |
| Compound Name: | N-benzyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C26 H26 N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(NCc2ccccc2)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0276 |
| logD: | 4.0276 |
| logSw: | -4.1735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.411 |
| InChI Key: | CBMVSJUSPZDZCA-DEOSSOPVSA-N |