SMILES:
CCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(=O)C(N)=OMolecular Processing
Molecular formula
C22H23N5O3
Molecular weight
405.46
Exact mass
405.1801
XLogP
2.28
TPSA
119.97
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
111.78
Supplementary Information
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