이름: N-{6-[N-(5-bromo(2-pyridyl))carbamoyl]-2,3,4-trimethoxyphenyl}(4-cyanophenyl)carboxamide
SMILES:
COc1cc(C(=O)Nc2ccc(Br)cn2)c(NC(=O)c2ccc(C#N)cc2)c(OC)c1OCMolecular Processing
Molecular formula
C23H19BrN4O5
Molecular weight
511.33
Exact mass
510.0539
XLogP
4.25
TPSA
122.57
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
125.1
Supplementary Information
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