SMILES:
COc1ccc(C(=O)N2CCOc3ccc(C4=NNC(=O)CC4)cc32)cc1OCMolecular Processing
Molecular formula
C21H21N3O5
Molecular weight
395.42
Exact mass
395.1481
XLogP
2.36
TPSA
89.46
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
107.07
Supplementary Information
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