2'-amino-1'-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-fluoro-7',7'-dimethyl-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-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-fluoro-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-1'-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-fluoro-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-5216 |
| Compound Name: | 2'-amino-1'-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-fluoro-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 593.1 |
| Molecular Formula: | C28 H22 Cl F N6 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N)N2c2nnc(SCc3ccccc3[Cl])s2)C(Nc2ccc(cc12)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.21 |
| logD: | 5.2075 |
| logSw: | -5.4524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.029 |
| InChI Key: | NWLXVYXDALNFFA-MUUNZHRXSA-N |