SMILES:
CCC(NC(=O)C1CCCC1)c1nnc(-c2ccccc2)[nH]c1=OMolecular Processing
Molecular formula
C18H22N4O2
Molecular weight
326.4
Exact mass
326.1743
XLogP
2.59
TPSA
87.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
91.22
Supplementary Information
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