이름: 2-cyano-N-(2,4-dimethoxybenzyl)-N-[2-(3-fluorobenzoyl)-4-methoxyphenyl]acetamide
SMILES:
COc1ccc(CN(C(=O)CC#N)c2ccc(OC)cc2C(=O)c2cccc(F)c2)c(OC)c1Molecular Processing
Molecular formula
C26H23FN2O5
Molecular weight
462.48
Exact mass
462.1591
XLogP
4.53
TPSA
88.86
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
123.79
Supplementary Information
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