2-[7,7-dimethyl-4-(3-nitrophenyl)-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-(3-nitrophenyl)-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-(3-nitrophenyl)-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: | 8017-0910 |
| Compound Name: | 2-[7,7-dimethyl-4-(3-nitrophenyl)-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: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2c(C#N)c3CCCCCc3s2)=O)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.079 |
| logD: | 5.079 |
| logSw: | -4.9892 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.344 |
| InChI Key: | HQBXSMWJOPVQHM-LJQANCHMSA-N |