2-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7189 |
| Compound Name: | 2-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | COc1ccc(C2CC(N(C3CCCC(C2=3)=O)c2c(C#N)c3CCCCCCc3s2)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1992 |
| logD: | 5.1992 |
| logSw: | -5.0755 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.137 |
| InChI Key: | NAGDWUUBQBSHGK-HXUWFJFHSA-N |