Name: 4-(tert-butyl)-N-(1-methyl-4-(4-methylphenyl)-3-{2-[(5-nitro-2-pyrimidinyl)oxy]ethoxy}-1H-pyrazol-5-yl)benzenesulfonamide
SMILES:
Cc1ccc(-c2c(OCCOc3ncc([N+](=O)[O-])cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Molecular Processing
Molecular formula
C27H30N6O6S
Molecular weight
566.64
Exact mass
566.1948
XLogP
4.65
TPSA
151.37
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
149.01
Supplementary Information
Details werden geladen…
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