AC1ML31H structure

AC1ML31H

N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Also Known As: Oprea1_282656|Oprea1_778479|ASN 04448715|N-[2-(Cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-ox|N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

CAS: 478482-87-0
Molecular Formula C29H34N4O4
Molecular Weight 502.258 g/mol
LogP 4.40014
Topological Polar Surface Area 85.69 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 502.258
Monoisotopic Mass 502.258
Heavy Atoms 37
Complexity 1280.416

Chemical Identifiers

CAS Number 478482-87-0
SMILES CC1=CC(=CC=C1)N(C(C2=CN(N=C2C)C)C(=O)NC3CCCCC3)C(=O)C4COC5=CC=CC=C5O4

Product Overview

AC1ML31H (CAS 478482-87-0), with molecular formula C29H34N4O4 and molecular weight 502.258 g/mol. IUPAC: N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

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