CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1CBr)c1cccc(C(F)(F)F)c1
SMILES: CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1CBr)c1cccc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C22H20BrClF3N3O
Molecular weight
514.77
Exact mass
513.043
XLogP
6.71
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
117.76

Supplementary Information

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