COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)cn3)c3nccnc23)c1Cl
SMILES: COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)cn3)c3nccnc23)c1Cl

Molecular Processing

Molecular formula
C29H30Cl2N6O4
Molecular weight
597.5
Exact mass
596.1706
XLogP
4.38
TPSA
112.94
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
159.09

Supplementary Information

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