O=C(Nc1ccc(Cl)cc1)c1cccn(C2CCc3c2cccc3N2CCN(CCO)CC2)c1=O
SMILES: O=C(Nc1ccc(Cl)cc1)c1cccn(C2CCc3c2cccc3N2CCN(CCO)CC2)c1=O

Molecular Processing

Molecular formula
C27H29ClN4O3
Molecular weight
493.01
Exact mass
492.1928
XLogP
3.4
TPSA
77.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
138.75

Supplementary Information

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