2'-amino-7',7'-dimethyl-1'-(5-{[(3-methylphenyl)methyl]sulfanyl}-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-7',7'-dimethyl-1'-(5-{[(3-methylphenyl)methyl]sulfanyl}-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-7',7'-dimethyl-1'-(5-{[(3-methylphenyl)methyl]sulfanyl}-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: | 8016-4569 |
| Compound Name: | 2'-amino-7',7'-dimethyl-1'-(5-{[(3-methylphenyl)methyl]sulfanyl}-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: | 554.69 |
| Molecular Formula: | C29 H26 N6 O2 S2 |
| Smiles: | Cc1cccc(CSc2nnc(N3C4CC(C)(C)CC(C=4C4(C(C#N)=C3N)C(Nc3ccccc34)=O)=O)s2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9147 |
| logD: | 4.9146 |
| logSw: | -4.7383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.029 |
| InChI Key: | ABBNWBOQRDDFBQ-GDLZYMKVSA-N |