이름: 2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILES:
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Br)n2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1Molecular Processing
Molecular formula
C23H19BrClN5O3S2
Molecular weight
592.93
Exact mass
590.9801
XLogP
5.09
TPSA
119.97
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
140.72
Supplementary Information
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