AC1MEO3R
benzyl 3-[(2-methyl-5-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: Oprea1_206042|Oprea1_764226|BAS 00630690|AG-690/11636345|benzyl 3-((2-methyl-5-nitrophenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate|benzyl 3-[(2-methyl-5-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate|phenylmethyl 3-[({5-nitro-2-methylphenyl}amino)carbonyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS: 469890-66-2
| Molecular Formula | C25H23N3O5 |
|---|---|
| Molecular Weight | 445.16376 g/mol |
| LogP | 4.60542 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.16376 |
| Monoisotopic Mass | 445.16376 |
| Heavy Atoms | 33 |
| Complexity | 1195.6566 |
Chemical Identifiers
| CAS Number | 469890-66-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4 |
Product Overview
AC1MEO3R (CAS 469890-66-2), with molecular formula C25H23N3O5 and molecular weight 445.16376 g/mol. IUPAC: benzyl 3-[(2-methyl-5-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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