SMILES:
COc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)N(C)CCO4)nn12Molecular Processing
Molecular formula
C22H21N5O2
Molecular weight
387.44
Exact mass
387.1695
XLogP
3.98
TPSA
63.92
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.46
Supplementary Information
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