이름: (E)-2-(2,6-dichlorobenzamido)-5-[4-(4-hydroxytetrahydropyran-4-yl)-phenyl]pent-4-enoic acid methyl ester
SMILES:
COC(=O)C(C/C=C/c1ccc(C2(O)CCOCC2)cc1)NC(=O)c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C24H25Cl2NO5
Molecular weight
478.37
Exact mass
477.111
XLogP
4.37
TPSA
84.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
123.78
Supplementary Information
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