methyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophene-2-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophene-2-carboxylate--hydrogen chloride (1/1)
methyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophene-2-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-6829 |
| Compound Name: | methyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophene-2-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 460.95 |
| Molecular Formula: | C18 H20 N2 O6 S2 |
| Salt: | HCl |
| Smiles: | COC(c1c(ccs1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1474 |
| logD: | 2.0523 |
| logSw: | -2.742 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.798 |
| InChI Key: | JFDHXEWMYOKOPX-UHFFFAOYSA-N |