2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-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-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-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: | 8016-4549 |
| Compound Name: | 2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-chloro-7-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 561.08 |
| Molecular Formula: | C27 H21 Cl N6 O2 S2 |
| Smiles: | Cc1c(ccc2c1NC(C21C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1nnc(SCc2ccccc2)s1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1808 |
| logD: | 4.1757 |
| logSw: | -4.5934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.777 |
| InChI Key: | IABNKPVXZWWUIF-HHHXNRCGSA-N |