SMILES:
O=C(O)CCc1c(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)[nH]c2c1CCCC2Molecular Processing
Molecular formula
C26H24N2O3
Molecular weight
412.49
Exact mass
412.1787
XLogP
5.07
TPSA
82.19
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
121.77
Supplementary Information
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