2'-amino-5,7',7'-trimethyl-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-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-5,7',7'-trimethyl-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-5,7',7'-trimethyl-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-4486 |
| Compound Name: | 2'-amino-5,7',7'-trimethyl-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C23 H22 N6 O2 S2 |
| Smiles: | Cc1ccc2c(c1)C1(C(C#N)=C(N)N(C3CC(C)(C)CC(C1=3)=O)c1nnc(SC)s1)C(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3226 |
| logD: | 3.3226 |
| logSw: | -3.7148 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.3 |
| InChI Key: | ZRTUUDMQPZUJBY-HSZRJFAPSA-N |