CC(C)(C)OC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1
Name: 3,4-dihydroquinolin-2(1H)-one
SMILES: CC(C)(C)OC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1

Molecular Processing

Molecular formula
C34H42F3N3O6
Molecular weight
645.72
Exact mass
645.3026
XLogP
5.92
TPSA
88.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
46
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.559
Molar refractivity
165

Supplementary Information

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