2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-[5-(propylsulfanyl)-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-6-chloro-7-methyl-2,5'-dioxo-1'-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-[5-(propylsulfanyl)-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: | 8016-3784 |
| Compound Name: | 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 513.04 |
| Molecular Formula: | C23 H21 Cl N6 O2 S2 |
| Smiles: | CCCSc1nnc(N2C3CCCC(C=3C3(C(C#N)=C2N)C(Nc2c3ccc(c2C)[Cl])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7515 |
| logD: | 3.7464 |
| logSw: | -4.2275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.048 |
| InChI Key: | IAWSIIMPFFRBMS-HSZRJFAPSA-N |