ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K408-0525 |
| Compound Name: | ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate |
| Molecular Weight: | 533.71 |
| Molecular Formula: | C26 H35 N3 O5 S2 |
| Smiles: | [H]N(C(c1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O)c1c(C(=O)OCC)c2CCN(Cc2s1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.4137 |
| logD: | -0.252 |
| logSw: | -4.2598 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.638 |
| InChI Key: | RLEMIHTZARPBDF-UHFFFAOYSA-N |