名称: [4-[(4-acetyloxyphenyl)-[2-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]phenyl] acetate
SMILES:
CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)OC)OCMolecular Processing
Molecular formula
C32H29NO7
Molecular weight
539.58
Exact mass
539.1944
XLogP
5.99
TPSA
100.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.156
Molar refractivity
150.39
Supplementary Information
InChIKey: IXZVDFMWCKERHS-UHFFFAOYSA-N
同義語
SCHEMBL9124015IXZVDFMWCKERHS-UHFFFAOYSA-N2-[Bis(4-acetoxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
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