이름: 1-[(4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)phenyl)carbonyl]imidazolidin-4-one
SMILES:
O=C1CN(C(=O)c2ccc(C3=NOC(c4cc(Cl)cc(C(F)(F)F)c4)(C(F)(F)F)C3)cc2CC(F)(F)F)CN1Molecular Processing
Molecular formula
C23H15ClF9N3O3
Molecular weight
587.83
Exact mass
587.0658
XLogP
5.58
TPSA
71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
116.67
Supplementary Information
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