methyl 2-{4-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]benzamido}-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 2-{4-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]benzamido}-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
methyl 2-{4-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]benzamido}-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K408-0495 |
| Compound Name: | methyl 2-{4-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]benzamido}-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 615.17 |
| Molecular Formula: | C26 H34 N4 O7 S2 |
| Salt: | HCl |
| Smiles: | [H]N(C(c1ccc(cc1)S(N1CCN(CC1)C(=O)OCC)(=O)=O)=O)c1c(C(=O)OC)c2CCN(Cc2s1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.1595 |
| logD: | -1.5062 |
| logSw: | -3.5643 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.507 |
| InChI Key: | LHLCRFMJFMTZRU-UHFFFAOYSA-N |