2'-amino-1-methyl-2,5'-dioxo-1'-{5-[(propan-2-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-1-methyl-2,5'-dioxo-1'-{5-[(propan-2-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-1-methyl-2,5'-dioxo-1'-{5-[(propan-2-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: | 8016-4488 |
| Compound Name: | 2'-amino-1-methyl-2,5'-dioxo-1'-{5-[(propan-2-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: | 478.59 |
| Molecular Formula: | C23 H22 N6 O2 S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CCCC(C=3C3(C(C#N)=C2N)C(N(C)c2ccccc23)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.946 |
| logD: | 2.946 |
| logSw: | -3.7137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.563 |
| InChI Key: | ONMKLYYHOSHMNP-HSZRJFAPSA-N |