名称: 1-{[4-(2,3-dichlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyrid-2-yl]methoxy}prop-2-yne
SMILES:
C#CCOCC1=C(C(=O)OCC)C(c2cccc(Cl)c2Cl)C(C(=O)OC)=C(C)N1Molecular Processing
Molecular formula
C21H21Cl2NO5
Molecular weight
438.31
Exact mass
437.0797
XLogP
3.59
TPSA
73.86
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.37
Supplementary Information
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