ethyl 6-methyl-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 6-methyl-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K408-0052 |
| Compound Name: | ethyl 6-methyl-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C28 H37 N3 O5 S2 |
| Smiles: | [H]N(C(c1ccc(cc1)S(N1CC2(C)CC1CC(C)(C)C2)(=O)=O)=O)c1c(C(=O)OCC)c2CCN(C)Cc2s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0704 |
| logD: | -0.5953 |
| logSw: | -4.2539 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.382 |
| InChI Key: | IPUYQZSVKZUCBS-UHFFFAOYSA-N |