AC1MEZXN
2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 02169719|SR-01000431564-1|2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan- 5-yl))-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate|2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|2-PHENYLETHYL 7-(4-METHOXYPHENYL)-2-METHYL-4-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE|phenethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate|phenethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitrobenzo[d][1,3]dioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C33H30N2O8 |
|---|---|
| Molecular Weight | 582.2002 g/mol |
| LogP | 5.4796 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.2002 |
| Monoisotopic Mass | 582.2002 |
| Heavy Atoms | 43 |
| Complexity | 1660.0896 |
Chemical Identifiers
| CAS Number | 312596-99-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)OCCC6=CC=CC=C6 |
Product Overview
AC1MEZXN (CAS 312596-99-9), with molecular formula C33H30N2O8 and molecular weight 582.2002 g/mol. IUPAC: 2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.