O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)C1
SMILES: O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)C1

Molecular Processing

Molecular formula
C27H29F3N4O5
Molecular weight
546.55
Exact mass
546.209
XLogP
2.71
TPSA
109
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
39
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
0.444
Molar refractivity
133.36

Supplementary Information

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