2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Chemical Structure Depiction of
2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-4548 |
| Compound Name: | 2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C26 H19 F N6 O2 S2 |
| Smiles: | C1CC2=C(C(C1)=O)C1(C(C#N)=C(N)N2c2nnc(SCc3ccccc3)s2)C(Nc2ccc(cc12)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6487 |
| logD: | 3.6463 |
| logSw: | -4.2073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.029 |
| InChI Key: | ILLZSJSCXGLKBG-AREMUKBSSA-N |