2'-amino-6-chloro-1'-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7-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-6-chloro-1'-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-6-chloro-1'-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-4631 |
| Compound Name: | 2'-amino-6-chloro-1'-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 595.53 |
| Molecular Formula: | C27 H20 Cl2 N6 O2 S2 |
| Smiles: | Cc1c(ccc2c1NC(C21C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1nnc(SCc2ccccc2[Cl])s1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1171 |
| logD: | 5.112 |
| logSw: | -5.3282 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.777 |
| InChI Key: | RJGVKGVZGKRFSS-HHHXNRCGSA-N |