methyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
methyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | G856-5937 |
| Compound Name: | methyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C23 H29 N3 O5 S2 |
| Smiles: | CN1CCc2c(C(=O)OC)c(NC(c3ccc(cc3)S(N3CCCCCC3)(=O)=O)=O)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.0003 |
| logD: | -1.6654 |
| logSw: | -3.604 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.67 |
| InChI Key: | GNVFXTJICPZNLT-UHFFFAOYSA-N |