이름: ethyl (Z)-2-ethoxy-3-{4-[6-(3-heptyl-1-methylureido)pyrid-2-yl]phenyl}acrylate
SMILES:
CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(/C=C(\OCC)C(=O)OCC)cc2)n1Molecular Processing
Molecular formula
C27H37N3O4
Molecular weight
467.61
Exact mass
467.2784
XLogP
5.81
TPSA
80.76
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
34
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
136.47
Supplementary Information
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