SMILES:
CN1C(c2ccc(Br)cc2)C2C(=O)N(Cc3ccc4c(c3)OCO4)C(O)C2C1(C)CMolecular Processing
Molecular formula
C23H25BrN2O4
Molecular weight
473.37
Exact mass
472.0998
XLogP
3.54
TPSA
62.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
114.83
Supplementary Information
Obteniendo detalles…
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