2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-2477 |
| Compound Name: | 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C26 H23 N5 O3 S |
| Smiles: | C1CCc2c(C#N)c(N3C4CCCC(C=4C(C(C#N)=C3N)c3cccc(c3)[N+]([O-])=O)=O)sc2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3737 |
| logD: | 4.3737 |
| logSw: | -4.6167 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.135 |
| InChI Key: | AOVFDBSBBKQIBG-QHCPKHFHSA-N |