2'-amino-6-chloro-1'-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7',7'-trimethyl-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-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7',7'-trimethyl-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-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7',7'-trimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-3831 |
| Compound Name: | 2'-amino-6-chloro-1'-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7',7'-trimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 527.07 |
| Molecular Formula: | C24 H23 Cl N6 O2 S2 |
| Smiles: | CCSc1nnc(N2C3CC(C)(C)CC(C=3C3(C(C#N)=C2N)C(Nc2c3ccc(c2C)[Cl])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0573 |
| logD: | 4.0522 |
| logSw: | -4.4258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.048 |
| InChI Key: | ZTOPWGDNZYIDPN-XMMPIXPASA-N |