CCOC(=O)C(=C(C1=C(C(=C(C(=C1F)F)F)F)F)O)C=NC2=C(C=C(C=C2)F)F
이름: ethyl 2-[(2,4-difluorophenyl)iminomethyl]-3-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoate
SMILES: CCOC(=O)C(=C(C1=C(C(=C(C(=C1F)F)F)F)F)O)C=NC2=C(C=C(C=C2)F)F

Molecular Processing

Molecular formula
C18H10F7NO3
Molecular weight
421.27
Exact mass
421.0549
XLogP
4.9
TPSA
58.89
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
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
0.111
Molar refractivity
86.92

Supplementary Information

InChIKey: UUGMYGMQGLJQFI-UHFFFAOYSA-N
동의어
SCHEMBL6216761SCHEMBL8740955WRTUTTOMYMZSTB-UHFFFAOYSA-NEthyl 2-(2,3,4,5,6-pentafluorobenzoyl)-3-(2,4-difluorophenylamino)-acrylateethyl 2-(2,3,4,5,6-pentafluorobenzoyl)-3-(2,4-difluorophenylamino)acrylate
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