AC1O5JTC
benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate|Ethanone, 1-(4-cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate|ETHANONE, 1-(4-CYCLOPENTYLPHENYL)-2-((1-METHYLETHYL)(PHENYLMETHYL)AMINO)-, (Z)-2|benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-propan-2-ylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C27H33NO5 |
|---|---|
| Molecular Weight | 451.23587 g/mol |
| LogP | 2.3975 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.23587 |
| Monoisotopic Mass | 451.23587 |
| Heavy Atoms | 33 |
| Complexity | 912.7439 |
Chemical Identifiers
| CAS Number | 85689-89-0 |
|---|---|
| SMILES | CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5JTC (CAS 85689-89-0), with molecular formula C27H33NO5 and molecular weight 451.23587 g/mol. IUPAC: benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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