이름: 3-ethoxycarbonyl-7-(4-methylphenylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILES:
CCOC(=O)c1cnn2c(Nc3ccc(C)cc3)c(C(=O)O)cnc12Molecular Processing
Molecular formula
C17H16N4O4
Molecular weight
340.34
Exact mass
340.1172
XLogP
2.66
TPSA
105.82
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
90.36
Supplementary Information
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