2-[7,7-dimethyl-4-(naphthalen-2-yl)-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-[7,7-dimethyl-4-(naphthalen-2-yl)-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-[7,7-dimethyl-4-(naphthalen-2-yl)-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: | 8017-2279 |
| Compound Name: | 2-[7,7-dimethyl-4-(naphthalen-2-yl)-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: | 494.66 |
| Molecular Formula: | C31 H30 N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2c(C#N)c3CCCCCc3s2)=O)c2ccc3ccccc3c2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4595 |
| logD: | 6.4595 |
| logSw: | -6.4153 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.691 |
| InChI Key: | KRLNFJPZKPCLJM-HSZRJFAPSA-N |