Name: 3-(2,4-Dichlorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butyrimidic acid, ethyl ester dihydrochloride
SMILES:
CCOC(=N)CC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl.Cl.ClMolecular Processing
Molecular formula
C14H18Cl4N4O2
Molecular weight
416.14
Exact mass
414.0184
XLogP
3.72
TPSA
84.02
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.357
Molar refractivity
98.85
Supplementary Information
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