1'-(3-chlorophenyl)-7',7'-dimethyl-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Chemical Structure Depiction of
1'-(3-chlorophenyl)-7',7'-dimethyl-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
1'-(3-chlorophenyl)-7',7'-dimethyl-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8017-5043 |
| Compound Name: | 1'-(3-chlorophenyl)-7',7'-dimethyl-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 533.03 |
| Molecular Formula: | C32 H25 Cl N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N2c2cccc(c2)[Cl])n2cccc2)C(N(CC#C)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9097 |
| logD: | 5.9097 |
| logSw: | -5.8729 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.272 |
| InChI Key: | OVQJTKHXVBXBPT-JGCGQSQUSA-N |