AC1NQK3B
[6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
Also Known As: SAD-E_000905|6-[{1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}(methyl)carbamoyl]-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[3-(2-hydroxyphenyl)prop-1-en-1-yl]benzoate|[6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
| Molecular Formula | C36H38N2O8 |
|---|---|
| Molecular Weight | 626.2628 g/mol |
| LogP | 3.4233 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 626.2628 |
| Monoisotopic Mass | 626.2628 |
| Heavy Atoms | 46 |
| Complexity | 1587.5789 |
Chemical Identifiers
| CAS Number | 6100-65-8 |
|---|---|
| SMILES | CN(C(CC1=CC=CC=C1)C(=O)NCCO)C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=CC(=C4)C=CCC5=CC=CC=C5O)OCO3 |
Product Overview
AC1NQK3B (CAS 6100-65-8), with molecular formula C36H38N2O8 and molecular weight 626.2628 g/mol. IUPAC: [6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate.
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