methyl 2-[4-(azepane-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-(azepane-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-(azepane-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: | K408-0499 |
| Compound Name: | methyl 2-[4-(azepane-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(N1CCCCCC1)(=O)=O)=O)c1c(C(=O)OC)c2CCN(Cc2s1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.0314 |
| logD: | -0.6343 |
| logSw: | -4.2758 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.058 |
| InChI Key: | APTDOAYCFRSSET-UHFFFAOYSA-N |