이름: 4,7-dihydro-6-ethoxycarbonyl-2-(4-fluorophenyl)-3-(pyridin-4-yl)-7-oxopyrazolo[1,5-a]pyrimidine
SMILES:
CCOC(=O)c1c[nH]c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1=OMolecular Processing
Molecular formula
C20H15FN4O3
Molecular weight
378.36
Exact mass
378.1128
XLogP
3.07
TPSA
89.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
100.39
Supplementary Information
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