N-(2-ethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2-ethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
Compound ID: | C714-0438 |
Compound Name: | N-(2-ethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
Molecular Weight: | 522.62 |
Molecular Formula: | C28 H30 N2 O6 S |
Smiles: | CCOc1ccccc1NC(CN1C(CC(c2cc(c(c(c2)OC)OC)OC)Sc2ccccc12)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6918 |
logD: | 4.6917 |
logSw: | -4.2831 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.318 |
InChI Key: | UYGOOTVVIIYMKW-VWLOTQADSA-N |