Name: 4-benzyloxy-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide
SMILES:
COCC1Cc2c(OCc3ccccc3)cc(C(=O)Nc3ccn(C)n3)cc2O1Molecular Processing
Molecular formula
C22H23N3O4
Molecular weight
393.44
Exact mass
393.1689
XLogP
3.2
TPSA
74.61
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.37
Supplementary Information
Details werden geladen…
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