ethyl 2-{4-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{4-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{4-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-1758 |
| Compound Name: | ethyl 2-{4-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 511.56 |
| Molecular Formula: | C24 H25 N5 O6 S |
| Smiles: | CCn1cc(c(C(Nc2ccc(cc2)C(Nc2c(C(=O)OCC)c3CCCCc3s2)=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7336 |
| logD: | -0.1012 |
| logSw: | -4.2042 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.019 |
| InChI Key: | ZGMPEIDETPMYAK-UHFFFAOYSA-N |