N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0443 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C27 H26 N2 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(CC(Nc2ccc3c(c2)OCO3)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3502 |
| logD: | 4.3502 |
| logSw: | -4.3104 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.921 |
| InChI Key: | KKSNXCXNOGZJQQ-DEOSSOPVSA-N |