2'-amino-5-fluoro-7',7'-dimethyl-2,5'-dioxo-1'-{5-[(prop-2-en-1-yl)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-7',7'-dimethyl-2,5'-dioxo-1'-{5-[(prop-2-en-1-yl)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-7',7'-dimethyl-2,5'-dioxo-1'-{5-[(prop-2-en-1-yl)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: | 8016-4567 |
| Compound Name: | 2'-amino-5-fluoro-7',7'-dimethyl-2,5'-dioxo-1'-{5-[(prop-2-en-1-yl)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: | 508.6 |
| Molecular Formula: | C24 H21 F N6 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N)N2c2nnc(SCC=C)s2)C(Nc2ccc(cc12)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7702 |
| logD: | 3.7677 |
| logSw: | -4.1226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.3 |
| InChI Key: | QLPKLSZNSBDQID-XMMPIXPASA-N |