SMILES:
COc1cc(C(=O)NN2CCN(C3CCCC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2CMolecular Processing
Molecular formula
C31H42F2N8O3
Molecular weight
612.73
Exact mass
612.3348
XLogP
4.18
TPSA
106.17
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
44
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.613
Molar refractivity
163.75
Supplementary Information
Details werden geladen…
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