名称: [2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylphenyl]-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
SMILES:
CC(=C)C1=CC(=C(C=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)N4CC5=C(C4)C=C(C=C5)BrMolecular Processing
Molecular formula
C32H28BrNO3
Molecular weight
554.48
Exact mass
553.1253
XLogP
7.8
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.156
Molar refractivity
150.42
Supplementary Information
InChIKey: KVOADNHTFGJNCQ-UHFFFAOYSA-N
同義語
SCHEMBL383835KVOADNHTFGJNCQ-UHFFFAOYSA-N(2,4-bis-benzyloxy-5-isopropenyl-phenyl)-(5-bromo-1,3-dihydro-isoindol-2-yl)-methanone
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