2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-0745 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C3CCCC(C=3C(C(C#N)=C1N)c1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9662 |
| logD: | 3.9662 |
| logSw: | -4.5007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.538 |
| InChI Key: | OKNKNTHICQAMOS-QHCPKHFHSA-N |