N~2~,N~2~-diethyl-N~5~-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
Chemical Structure Depiction of
N~2~,N~2~-diethyl-N~5~-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
N~2~,N~2~-diethyl-N~5~-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
Compound characteristics
| Compound ID: | T408-0190 |
| Compound Name: | N~2~,N~2~-diethyl-N~5~-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C20 H25 N3 O2 S |
| Smiles: | CCN(CC)C(c1cc2CC(CCc2s1)C(NCc1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.124 |
| logD: | 2.1216 |
| logSw: | -2.3606 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.041 |
| InChI Key: | JUYPOXLALZVQEA-OAHLLOKOSA-N |