Name: N-(1-tert-butyl-3-(3-methoxyphenethyl)-1H-pyrazol-5-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)benzamide
SMILES:
COc1cccc(CCc2cc(NC(=O)c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n(C(C)(C)C)n2)c1Molecular Processing
Molecular formula
C28H37N5O4S
Molecular weight
539.7
Exact mass
539.2566
XLogP
3.77
TPSA
96.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
150.65
Supplementary Information
Details werden geladen…
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