Name: tert-butyl 2-(2-(2,3-difluoro-5-iodobenzoyl)-3-ethoxy-3-oxoprop-1-enyl)-1-methylhydrazinecarboxylate
SMILES:
CCOC(=O)C(=CNN(C)C(=O)OC(C)(C)C)C(=O)c1cc(I)cc(F)c1FMolecular Processing
Molecular formula
C18H21F2IN2O5
Molecular weight
510.28
Exact mass
510.0463
XLogP
3.57
TPSA
84.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
105.25
Supplementary Information
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