Name: 5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carboxylic acid
SMILES:
O=C(O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1Molecular Processing
Molecular formula
C21H24N4O5
Molecular weight
412.45
Exact mass
412.1747
XLogP
1.61
TPSA
113.76
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
106.54
Supplementary Information
Details werden geladen…
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