CN1CCN(c2cc(-c3cnc4c(c3)C(Oc3cccc(Cl)c3)CCN4)ccn2)CC1
SMILES: CN1CCN(c2cc(-c3cnc4c(c3)C(Oc3cccc(Cl)c3)CCN4)ccn2)CC1

Molecular Processing

Molecular formula
C24H26ClN5O
Molecular weight
435.96
Exact mass
435.1826
XLogP
4.48
TPSA
53.52
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
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
0.333
Molar refractivity
125.11

Supplementary Information

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