SMILES:
CCCOc1ccc(C=CC(=O)OC(C)(C)C)cc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1Molecular Processing
Molecular formula
C25H32N4O4
Molecular weight
452.56
Exact mass
452.2424
XLogP
4.65
TPSA
99.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
129.28
Supplementary Information
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