이름: 3,4-Difluoro-2-{2-fluoro-4-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl]anilino}-N-(2-hydroxyethoxy)benzamide
SMILES:
O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(C#CCOC2CCCCO2)cc1FMolecular Processing
Molecular formula
C23H23F3N2O5
Molecular weight
464.44
Exact mass
464.1559
XLogP
3.4
TPSA
89.05
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
112.97
Supplementary Information
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