2-[4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[4-(4-methoxyphenyl)-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: | 8016-8840 |
| Compound Name: | 2-[4-(4-methoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C25 H24 N2 O3 S |
| Smiles: | COc1ccc(cc1)C1CC(N(C2CCCC(C1=2)=O)c1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0314 |
| logD: | 4.0314 |
| logSw: | -4.4746 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.176 |
| InChI Key: | YHTBTTRBHANPDE-GOSISDBHSA-N |