COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccc3c(c2)N(C(C)=O)CCCC3(C)C)ncc1Cl
SMILES: COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccc3c(c2)N(C(C)=O)CCCC3(C)C)ncc1Cl

Molecular Processing

Molecular formula
C29H35ClN6O3
Molecular weight
551.09
Exact mass
550.2459
XLogP
5.89
TPSA
91.85
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
156.36

Supplementary Information

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