الاسم: 4-{[4-(2,3-dichlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyrid-2-yl]methoxy}-2-butynoic acid
SMILES:
CCOC(=O)C1=C(COCC#CC(=O)O)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1ClMolecular Processing
Molecular formula
C22H21Cl2NO7
Molecular weight
482.32
Exact mass
481.0695
XLogP
3.05
TPSA
111.16
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
116.94
Supplementary Information
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