SMILES:
COCCNc1cc(NC(=O)N2CCCc3cc(-n4ccnc4)c(C(OC)OC)nc32)ncc1C#NMolecular Processing
Molecular formula
C24H28N8O4
Molecular weight
492.54
Exact mass
492.2234
XLogP
2.87
TPSA
139.45
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
132.12
Supplementary Information
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