名称: 5-amino-1-[6-(tert-butoxycarbonyl-methyl-amino)-pyrimidin-4-yl]-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cnn(-c2cc(N(C)C(=O)OC(C)(C)C)ncn2)c1NMolecular Processing
Molecular formula
C16H22N6O4
Molecular weight
362.39
Exact mass
362.1703
XLogP
1.79
TPSA
125.46
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
94.16
Supplementary Information
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