O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3
SMILES: O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3

Molecular Processing

Molecular formula
C31H32F3N5O
Molecular weight
547.63
Exact mass
547.2559
XLogP
5.53
TPSA
64.26
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
147.56

Supplementary Information

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