ethyl 2-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | J015-0047 |
| Compound Name: | ethyl 2-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cccc(n1)n1cnnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2167 |
| logD: | -0.4308 |
| logSw: | -3.5553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.909 |
| InChI Key: | NQKMUXHTZHWZFB-UHFFFAOYSA-N |