methyl 2-[4-(2-methylpiperidine-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-(2-methylpiperidine-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-(2-methylpiperidine-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: | K408-0487 |
Compound Name: | methyl 2-[4-(2-methylpiperidine-1-sulfonyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1) |
Molecular Weight: | 556.14 |
Molecular Formula: | C25 H33 N3 O5 S2 |
Salt: | HCl |
Smiles: | [H]N(C(c1ccc(cc1)S(N1CCCCC1C)(=O)=O)=O)c1c(C(=O)OC)c2CCN(Cc2s1)C(C)C |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8471 |
logD: | -0.8186 |
logSw: | -4.2269 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.789 |
InChI Key: | VKCMLXWBBXXKOZ-KRWDZBQOSA-N |