CC1(c2cc(NC(=O)c3ccc(C#CC4CC4)cn3)ccc2F)N=C(N)OCC1(F)F
SMILES: CC1(c2cc(NC(=O)c3ccc(C#CC4CC4)cn3)ccc2F)N=C(N)OCC1(F)F

Molecular Processing

Molecular formula
C22H19F3N4O2
Molecular weight
428.41
Exact mass
428.146
XLogP
3.43
TPSA
89.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
108.07

Supplementary Information

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