SMILES:
CC(CO)Oc1cc(Oc2ccc3c(c2Cl)OCCN(C)C3=O)cc(C(=O)Nc2ccn(C)n2)c1Molecular Processing
Molecular formula
C24H25ClN4O6
Molecular weight
500.94
Exact mass
500.1463
XLogP
3.34
TPSA
115.15
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
128.76
Supplementary Information
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