SMILES:
CCOC1CNCC1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CCMolecular Processing
Molecular formula
C21H29ClN4O2
Molecular weight
404.94
Exact mass
404.1979
XLogP
3.72
TPSA
68.3
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
113.48
Supplementary Information
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