SMILES:
COc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(CCNC(N)=O)cc2)cc1Molecular Processing
Molecular formula
C22H25N5O4
Molecular weight
423.47
Exact mass
423.1907
XLogP
2.39
TPSA
111.71
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
115.94
Supplementary Information
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