SMILES:
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)O)c1Molecular Processing
Molecular formula
C25H31N5O4
Molecular weight
465.55
Exact mass
465.2376
XLogP
3.54
TPSA
118.37
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
129.35
Supplementary Information
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