SMILES:
COc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccn1Molecular Processing
Molecular formula
C24H27N5O2
Molecular weight
417.51
Exact mass
417.2165
XLogP
3.44
TPSA
71.45
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
118.86
Supplementary Information
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