SMILES:
COCCOC1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)C(NC(=O)OC)C(C)C)C1Molecular Processing
Molecular formula
C23H31BrN4O5
Molecular weight
523.43
Exact mass
522.1478
XLogP
3.52
TPSA
105.78
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
126.58
Supplementary Information
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