2'-amino-5-fluoro-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-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-5-fluoro-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-5-fluoro-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-4948 |
| Compound Name: | 2'-amino-5-fluoro-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C20 H15 F N6 O2 S2 |
| Smiles: | CSc1nnc(N2C3CCCC(C=3C3(C(C#N)=C2N)C(Nc2ccc(cc23)F)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5166 |
| logD: | 2.5141 |
| logSw: | -3.1878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.3 |
| InChI Key: | KWHLXUOOVOTJSA-HXUWFJFHSA-N |