이름: 2-{[(5-chloropyrimidin-2-yl)aminocarbonyl]aminosulfonyl}benzoic acid, methyl ester
SMILES:
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1ncc(Cl)cn1Molecular Processing
Molecular formula
C13H11ClN4O5S
Molecular weight
370.77
Exact mass
370.0139
XLogP
1.43
TPSA
127.35
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
84.16
Supplementary Information
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