2'-amino-1-methyl-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-1-methyl-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-1-methyl-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: | 8016-4550 |
| Compound Name: | 2'-amino-1-methyl-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: | 540.67 |
| Molecular Formula: | C28 H24 N6 O2 S2 |
| Smiles: | Cc1cccc(CSc2nnc(N3C4CCCC(C=4C4(C(C#N)=C3N)C(N(C)c3ccccc34)=O)=O)s2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1649 |
| logD: | 4.1649 |
| logSw: | -4.484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.291 |
| InChI Key: | JLTDPWRGOQWBTG-MUUNZHRXSA-N |