SMILES:
CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)O)cn3C)n(Cc3c[nH]c4ccc(Cl)cc34)nc21Molecular Processing
Molecular formula
C25H25ClN6O4
Molecular weight
508.97
Exact mass
508.1626
XLogP
3.44
TPSA
119.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
137.85
Supplementary Information
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