COc1cc2ncnc(N3CCC(n4c(=O)c5cc(C(=O)O)ccc5n(C)c4=O)CC3)c2cc1OC
SMILES: COc1cc2ncnc(N3CCC(n4c(=O)c5cc(C(=O)O)ccc5n(C)c4=O)CC3)c2cc1OC

Molecular Processing

Molecular formula
C25H25N5O6
Molecular weight
491.5
Exact mass
491.1805
XLogP
2.2
TPSA
128.78
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
133.53

Supplementary Information

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