이름: Methyl 2-[(4-{3-[ethyl(2-fluorobenzyl)amino]-3-oxopropyl}phenoxy)methyl]-benzoate
SMILES:
CCN(Cc1ccccc1F)C(=O)CCc1ccc(OCc2ccccc2C(=O)OC)cc1Molecular Processing
Molecular formula
C27H28FNO4
Molecular weight
449.52
Exact mass
449.2002
XLogP
5.17
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
124.37
Supplementary Information
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