이름: (E)-2-(2,6-dichlorobenzamido)-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester
SMILES:
COC(=O)C(C/C=C/c1ccc(N(C)c2ncccn2)cc1)NC(=O)c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C24H22Cl2N4O3
Molecular weight
485.37
Exact mass
484.1069
XLogP
4.93
TPSA
84.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
129.92
Supplementary Information
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