2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C714-0385 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C24 H28 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(NCC2CCCO2)=O)c2ccccc2S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4831 |
| logD: | 2.4831 |
| logSw: | -2.9026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.065 |
| InChI Key: | BXMMGIIKMOBSIV-UHFFFAOYSA-N |