이름: N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3,4-dihydroxy-5-methoxybenzamide
SMILES:
COc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc(O)c1OMolecular Processing
Molecular formula
C17H18N4O5
Molecular weight
358.35
Exact mass
358.1277
XLogP
2.21
TPSA
122.64
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
91.58
Supplementary Information
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