AC1N3ZT8
methyl 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: AK-968/41017418|methyl 4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|methyl 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|methyl 4-(1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|methyl 4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C30H29Cl2N3O3 |
|---|---|
| Molecular Weight | 549.15857 g/mol |
| LogP | 6.6822 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 549.15857 |
| Monoisotopic Mass | 549.15857 |
| Heavy Atoms | 38 |
| Complexity | 1502.1357 |
Chemical Identifiers
| CAS Number | 492425-31-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN(N=C3C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C(=O)OC |
Product Overview
AC1N3ZT8 (CAS 492425-31-7), with molecular formula C30H29Cl2N3O3 and molecular weight 549.15857 g/mol. IUPAC: methyl 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.