1'-(3-chloro-4-fluorophenyl)-7',7'-dimethyl-2,5'-dioxo-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-chloro-4-fluorophenyl)-7',7'-dimethyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
1'-(3-chloro-4-fluorophenyl)-7',7'-dimethyl-2,5'-dioxo-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: | 8017-5108 |
| Compound Name: | 1'-(3-chloro-4-fluorophenyl)-7',7'-dimethyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 512.97 |
| Molecular Formula: | C29 H22 Cl F N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N2c2ccc(c(c2)[Cl])F)n2cccc2)C(Nc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2959 |
| logD: | 5.2959 |
| logSw: | -5.7543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.797 |
| InChI Key: | XUKSSXYZVCOMOB-GDLZYMKVSA-N |