SMILES:
CC1CCCN(c2c(Br)cc3c4c(cccc24)C(=O)N(OCc2ccccc2)C3=O)C1Molecular Processing
Molecular formula
C25H23BrN2O3
Molecular weight
479.37
Exact mass
478.0892
XLogP
5.57
TPSA
49.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
123.99
Supplementary Information
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