2'-amino-6-chloro-7,7',7'-trimethyl-2,5'-dioxo-1'-{5-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)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: | 8016-4568 |
| Compound Name: | 2'-amino-6-chloro-7,7',7'-trimethyl-2,5'-dioxo-1'-{5-[(prop-2-en-1-yl)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: | 539.08 |
| Molecular Formula: | C25 H23 Cl N6 O2 S2 |
| Smiles: | Cc1c(ccc2c1NC(C21C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1nnc(SCC=C)s1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3023 |
| logD: | 4.2972 |
| logSw: | -4.513 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.048 |
| InChI Key: | IFRZZFLRRIKMHT-RUZDIDTESA-N |