Name: ethyl 3-cyclopropylamino-2-(2,5-difluoro-4-pyrrol-1-ylbenzoyl)acrylate
SMILES:
CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(-n2cccc2)cc1FMolecular Processing
Molecular formula
C19H18F2N2O3
Molecular weight
360.36
Exact mass
360.1285
XLogP
3.14
TPSA
60.33
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
90.89
Supplementary Information
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