2'-amino-1'-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-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-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-1'-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8015-7926 |
| Compound Name: | 2'-amino-1'-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 464.57 |
| Molecular Formula: | C22 H20 N6 O2 S2 |
| Smiles: | CCSc1nnc(N2C3CCCC(C=3C3(C(C#N)=C2N)C(Nc2ccc(C)cc23)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0812 |
| logD: | 3.0812 |
| logSw: | -3.4242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.3 |
| InChI Key: | TZNRYMUCPJIWHU-JOCHJYFZSA-N |