SMILES:
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)O)c1Molecular Processing
Molecular formula
C24H29N5O4
Molecular weight
451.53
Exact mass
451.222
XLogP
3.23
TPSA
118.37
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
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
0.417
Molar refractivity
124.62
Supplementary Information
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