SMILES:
COc1ccc2c(c1)C(=NOCCCN(C)C)c1c-2c(N2CCNCC2)nc2ccccc12Molecular Processing
Molecular formula
C26H31N5O2
Molecular weight
445.57
Exact mass
445.2478
XLogP
3.35
TPSA
62.22
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
133.58
Supplementary Information
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