CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1

Molecular Processing

Molecular formula
C16H20F3N3O2
Molecular weight
343.35
Exact mass
343.1508
XLogP
3.3
TPSA
45.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
81.72

Supplementary Information

Details werden geladen…

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