C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F
名称: 1-[6-(4-bromophenoxy)hexyl]-3-(4-fluorophenyl)imidazolidin-2-one
SMILES: C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C21H24BrFN2O2
Molecular weight
435.34
Exact mass
434.1005
XLogP
5.47
TPSA
32.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.82

Supplementary Information

InChIKey: JFECIYNPVJFXAO-UHFFFAOYSA-N
同義語
SCHEMBL6752773JFECIYNPVJFXAO-UHFFFAOYSA-N1-[6-(4-bromophenoxy)hexyl]-3-(4-fluorophenyl)-2-imidazolidinone
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