2-[4-(3-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[4-(3-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[4-(3-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
Compound ID: | 8016-7763 |
Compound Name: | 2-[4-(3-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
Molecular Weight: | 474.62 |
Molecular Formula: | C28 H30 N2 O3 S |
Smiles: | CC1(C)CC2=C(C(CC(N2c2c(C#N)c3CCCCCc3s2)=O)c2cccc(c2)OC)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2268 |
logD: | 5.2268 |
logSw: | -5.0672 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 54.507 |
InChI Key: | LRLBSRRUYYAHRX-HXUWFJFHSA-N |