2-[2,5-dioxo-4-(2,3,4-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[2,5-dioxo-4-(2,3,4-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[2,5-dioxo-4-(2,3,4-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0345 |
| Compound Name: | 2-[2,5-dioxo-4-(2,3,4-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | COc1ccc(C2CC(N(C3CCCC(C2=3)=O)c2c(C#N)c3CCCCc3s2)=O)c(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0298 |
| logD: | 4.0298 |
| logSw: | -4.4836 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.696 |
| InChI Key: | HZOUCZJSZDSIKP-QGZVFWFLSA-N |