N-[(oxolan-2-yl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(oxolan-2-yl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0466 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C25 H30 N2 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(CC(NCC2CCCO2)=O)c2ccccc2S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5504 |
| logD: | 2.5504 |
| logSw: | -3.0302 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.782 |
| InChI Key: | ANEZBSDHVCPXHX-UHFFFAOYSA-N |