COc1cc2nc(N3CCN(C(=O)C4=CCCC4)CC3)nc(N)c2cc1OC
SMILES: COc1cc2nc(N3CCN(C(=O)C4=CCCC4)CC3)nc(N)c2cc1OC

Molecular Processing

Molecular formula
C20H25N5O3
Molecular weight
383.45
Exact mass
383.1957
XLogP
1.99
TPSA
93.81
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
107.78

Supplementary Information

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