이름: N-(4-chloro-3-methyl-5-isoxazolyl)-2-[(2-cyano-4,5-dimethoxyphenyl)aminocarbonyl]thiophene-3-sulfonamide
SMILES:
COc1cc(C#N)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)cc1OCMolecular Processing
Molecular formula
C18H15ClN4O6S2
Molecular weight
482.93
Exact mass
482.0122
XLogP
3.64
TPSA
143.55
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
113.59
Supplementary Information
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