SMILES:
CCCCN1CCN(Cc2nnc(C(C)(N)Cc3ccccc3)o2)C(=O)C1=OMolecular Processing
Molecular formula
C20H27N5O3
Molecular weight
385.47
Exact mass
385.2114
XLogP
1.46
TPSA
105.56
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
102.89
Supplementary Information
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