2-[4-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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: | 8016-7192 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-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: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(N1C3CCCC(C=3C(CC1=O)c1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0383 |
| logD: | 5.0383 |
| logSw: | -5.0014 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.078 |
| InChI Key: | LHFHBRIAFHFFRY-GOSISDBHSA-N |