COc1cc(C(=O)NC2CCN(c3ccccn3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
SMILES: COc1cc(C(=O)NC2CCN(c3ccccn3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

Molecular Processing

Molecular formula
C31H36F2N8O3
Molecular weight
606.68
Exact mass
606.2878
XLogP
4.38
TPSA
115.82
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
44
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
163.21

Supplementary Information

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