N~2~,N~2~-diethyl-N~5~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
Chemical Structure Depiction of
N~2~,N~2~-diethyl-N~5~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
N~2~,N~2~-diethyl-N~5~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
Compound characteristics
| Compound ID: | T408-0314 |
| Compound Name: | N~2~,N~2~-diethyl-N~5~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C21 H30 N4 O2 S |
| Smiles: | CCN(CC)C(c1cc2CC(CCc2s1)C(NCc1c(C)nn(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0983 |
| logD: | 2.0983 |
| logSw: | -2.5737 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.362 |
| InChI Key: | UFQSJJAAPUCORL-OAHLLOKOSA-N |