Name: [4-carbamoyl-3-(3-chloro-2,6-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester
SMILES:
Cc1cc(F)c(COc2nsc(NC(=O)Oc3ccccc3)c2C(N)=O)c(F)c1ClMolecular Processing
Molecular formula
C19H14ClF2N3O4S
Molecular weight
453.85
Exact mass
453.0362
XLogP
4.67
TPSA
103.54
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
107.16
Supplementary Information
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