2'-amino-6-chloro-7,7',7'-trimethyl-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-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-7,7',7'-trimethyl-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-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-7,7',7'-trimethyl-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-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: | 8016-5230 |
| Compound Name: | 2'-amino-6-chloro-7,7',7'-trimethyl-2,5'-dioxo-1'-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 657.14 |
| Molecular Formula: | C30 H24 Cl F3 N6 O2 S2 |
| Smiles: | Cc1c(ccc2c1NC(C21C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1nnc(SCc2cccc(c2)C(F)(F)F)s1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8402 |
| logD: | 5.8351 |
| logSw: | -5.994 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.777 |
| InChI Key: | OXIKDZYATZXFPT-GDLZYMKVSA-N |