2'-amino-5-fluoro-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Chemical Structure Depiction of
2'-amino-5-fluoro-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-5-fluoro-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-4595 |
| Compound Name: | 2'-amino-5-fluoro-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 598.6 |
| Molecular Formula: | C27 H18 F4 N6 O2 S2 |
| Smiles: | C1CC2=C(C(C1)=O)C1(C(C#N)=C(N)N2c2nnc(SCc3cccc(c3)C(F)(F)F)s2)C(Nc2ccc(cc12)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.683 |
| logD: | 4.6806 |
| logSw: | -4.7944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.029 |
| InChI Key: | LJAIRVWDKFMYDH-AREMUKBSSA-N |