2-[2,5-dioxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-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-[2,5-dioxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-[2,5-dioxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-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: | 8016-7086 |
| Compound Name: | 2-[2,5-dioxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C29 H30 N2 O3 S |
| Smiles: | C=CCOc1ccc(cc1)C1CC(N(C2CCCC(C1=2)=O)c1c(C#N)c2CCCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.574 |
| logD: | 5.574 |
| logSw: | -5.6899 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.381 |
| InChI Key: | CNLXIBMEFGRUCF-JOCHJYFZSA-N |