SMILES:
CCCn1c(=O)c2[nH]c(C3C4C5CC3C(CO)(C(=O)O)C54)nc2n(CCC)c1=OMolecular Processing
Molecular formula
C20H26N4O5
Molecular weight
402.45
Exact mass
402.1903
XLogP
0.75
TPSA
130.21
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
103.67
Supplementary Information
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