CCCCCCCCCCOc1cnc(-c2ccc(C=CC(OCCCC)C(F)(F)F)cc2)nc1
SMILES: CCCCCCCCCCOc1cnc(-c2ccc(C=CC(OCCCC)C(F)(F)F)cc2)nc1

Molecular Processing

Molecular formula
C28H39F3N2O2
Molecular weight
492.63
Exact mass
492.2964
XLogP
8.42
TPSA
44.24
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
17
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
135.31

Supplementary Information

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