CC(C)Cc1nc(-c2ccc(OCCN3CCN(c4ccncc4)CC3)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1
SMILES: CC(C)Cc1nc(-c2ccc(OCCN3CCN(c4ccncc4)CC3)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1

Molecular Processing

Molecular formula
C36H38ClN5O2
Molecular weight
608.19
Exact mass
607.2714
XLogP
7.78
TPSA
55.65
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
44
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
177.45

Supplementary Information

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