Name: 5-[4-(2,5-dichlorophenoxy)-3-fluoroanilino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILES:
N#Cc1c(O)nsc1Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1Molecular Processing
Molecular formula
C16H8Cl2FN3O2S
Molecular weight
396.23
Exact mass
394.9698
XLogP
5.7
TPSA
78.17
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
94.71
Supplementary Information
InChIKey: IMFVXVNIDSAIPR-UHFFFAOYSA-N
Synonyme
SCHEMBL3528518IMFVXVNIDSAIPR-UHFFFAOYSA-N5-[4-(2,5-Dichloro-phenoxy)-3-fluoro-phenylamino]-3-hydroxy-isothiazole-4-carbonitrile
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