Name: N-(1-tert-butyl-3-(3-methoxyphenethyl)-1H-pyrazol-5-yl)-4-(piperazin-1-yl)benzamide
SMILES:
COc1cccc(CCc2cc(NC(=O)c3ccc(N4CCNCC4)cc3)n(C(C)(C)C)n2)c1Molecular Processing
Molecular formula
C27H35N5O2
Molecular weight
461.61
Exact mass
461.2791
XLogP
4.09
TPSA
71.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
137.1
Supplementary Information
Details werden geladen…
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