CCOC(=O)c1c(CCc2ccc(F)cc2)nc2c(c1-c1cc(C(=O)NC3CCc4ccccc43)co1)C(=O)N1CCCC21
SMILES: CCOC(=O)c1c(CCc2ccc(F)cc2)nc2c(c1-c1cc(C(=O)NC3CCc4ccccc43)co1)C(=O)N1CCCC21

Molecular Processing

Molecular formula
C35H32FN3O5
Molecular weight
593.66
Exact mass
593.2326
XLogP
6.15
TPSA
101.74
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
44
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
159.69

Supplementary Information

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