AK-968/11842205
methyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: AK-968/11842205|methyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-({[2-(2,4-dichlorophenyl)-3-methyl-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-({[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|Methyl 2-[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C29H26Cl2N2O3S |
|---|---|
| Molecular Weight | 552.1041 g/mol |
| LogP | 8.27642 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 552.1041 |
| Monoisotopic Mass | 552.1041 |
| Heavy Atoms | 37 |
| Complexity | 1529.608 |
Chemical Identifiers
| CAS Number | 5694-19-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC |
Product Overview
AK-968/11842205 (CAS 5694-19-9), with molecular formula C29H26Cl2N2O3S and molecular weight 552.1041 g/mol. IUPAC: methyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
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