COc1cc2nc(N3CCC(N(C)C(=O)C4CCCN4C(C)=O)CC3)nc(Nc3ccc(Cl)cc3F)c2cc1OC
SMILES: COc1cc2nc(N3CCC(N(C)C(=O)C4CCCN4C(C)=O)CC3)nc(Nc3ccc(Cl)cc3F)c2cc1OC

Molecular Processing

Molecular formula
C29H34ClFN6O4
Molecular weight
585.08
Exact mass
584.2314
XLogP
4.62
TPSA
100.13
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
155.75

Supplementary Information

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