C[C@@H](CO)Oc1cc(Oc2ccc(-c3ncon3)cc2)cc(C(=O)Nc2ccn(C)n2)c1
SMILES: C[C@@H](CO)Oc1cc(Oc2ccc(-c3ncon3)cc2)cc(C(=O)Nc2ccn(C)n2)c1

Molecular Processing

Molecular formula
C22H21N5O5
Molecular weight
435.44
Exact mass
435.1543
XLogP
3.27
TPSA
124.53
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
114.59

Supplementary Information

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