ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-benzothiophene-2-carboxylate
ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0155 |
| Compound Name: | ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C23 H24 N2 O6 S2 |
| Smiles: | CCOC(c1c(c2ccccc2s1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6395 |
| logD: | 3.5443 |
| logSw: | -3.8589 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.106 |
| InChI Key: | NOTNJPUHWAEHFC-UHFFFAOYSA-N |