이름: 8-cyclopropanesulfonyl-4,5-difluoro-6-(2-fluoro-4-iodo-phenyl)-2-methyl-6,8-dihydro-imidazo[4′,5′:3,4]benzo[1,2-d]oxazol-7-one
SMILES:
Cc1nc2c(F)c(F)c3c(c2o1)n(S(=O)(=O)C1CC1)c(=O)n3-c1ccc(I)cc1FMolecular Processing
Molecular formula
C18H11F3IN3O4S
Molecular weight
549.27
Exact mass
548.9467
XLogP
3.6
TPSA
87.1
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
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
0.222
Molar refractivity
109.77
Supplementary Information
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