methyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
methyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K408-0004 |
| Compound Name: | methyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 558.16 |
| Molecular Formula: | C25 H35 N3 O5 S2 |
| Salt: | HCl |
| Smiles: | [H]N(C(c1ccc(cc1)S(N(CC(C)C)CC(C)C)(=O)=O)=O)c1c(C(=O)OC)c2CCN(C)Cc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2706 |
| logD: | -0.3951 |
| logSw: | -4.3022 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.275 |
| InChI Key: | PUEJBXVPNGGUOX-UHFFFAOYSA-N |