2-[4-(2,3-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[4-(2,3-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[4-(2,3-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8835 |
| Compound Name: | 2-[4-(2,3-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C26 H26 N2 O4 S |
| Smiles: | COc1cccc(C2CC(N(C3CCCC(C2=3)=O)c2c(C#N)c3CCCCc3s2)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.988 |
| logD: | 3.988 |
| logSw: | -4.4876 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.979 |
| InChI Key: | ZFQCMRRZRMNYHC-QGZVFWFLSA-N |