C=CC1CC1(NC(=O)C1CC(Oc2nc(-c3cccc(F)c3)nc3c(C)c(OC)ccc23)CC1C(=O)OC(C)(C)C)C(=O)OCC
Name: Compound 155
SMILES: C=CC1CC1(NC(=O)C1CC(Oc2nc(-c3cccc(F)c3)nc3c(C)c(OC)ccc23)CC1C(=O)OC(C)(C)C)C(=O)OCC

Molecular Processing

Molecular formula
C35H40FN3O7
Molecular weight
633.72
Exact mass
633.285
XLogP
5.49
TPSA
125.94
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
46
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.457
Molar refractivity
168.51

Supplementary Information

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