SMILES:
O=C(Nc1ccc(Cl)cc1)c1cccn(C2CCc3c2cccc3N2CCNCC2)c1=OMolecular Processing
Molecular formula
C25H25ClN4O2
Molecular weight
448.95
Exact mass
448.1666
XLogP
3.7
TPSA
66.37
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
128.09
Supplementary Information
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