2'-amino-7',7'-dimethyl-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-7',7'-dimethyl-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-7',7'-dimethyl-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: | 8016-4656 |
| Compound Name: | 2'-amino-7',7'-dimethyl-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: | 608.66 |
| Molecular Formula: | C29 H23 F3 N6 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N)N2c2nnc(SCc3cccc(c3)C(F)(F)F)s2)C(Nc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0249 |
| logD: | 5.0248 |
| logSw: | -4.8128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.029 |
| InChI Key: | FCYLFRSLIVXJIB-MUUNZHRXSA-N |