SMILES:
CN(C)c1cc(NC(=O)CBr)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=OMolecular Processing
Molecular formula
C25H29BrN4O8
Molecular weight
593.43
Exact mass
592.1169
XLogP
0.52
TPSA
193.73
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
38
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
140.42
Supplementary Information
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