2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-7713 |
| Compound Name: | 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 427.53 |
| Molecular Formula: | C24 H21 N5 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C3CCCC(C=3C(C(C#N)=C1N)c1cccnc1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9336 |
| logD: | 2.9336 |
| logSw: | -3.1801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.94 |
| InChI Key: | OXDRJEZQBLTQGD-NRFANRHFSA-N |