CN1C(=O)C(N=C1N)(C2=CC=C(C=C2)OC(F)F)C3=CC(=CC=C3)Br
名称: 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one
SMILES: CN1C(=O)C(N=C1N)(C2=CC=C(C=C2)OC(F)F)C3=CC(=CC=C3)Br

Molecular Processing

Molecular formula
C17H14BrF2N3O2
Molecular weight
410.22
Exact mass
409.0237
XLogP
3.08
TPSA
67.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
92.39

Supplementary Information

InChIKey: IYWUWXFNULQJTD-UHFFFAOYSA-N
同義語
2-amino-4-(3-bromophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-oneSCHEMBL27964762-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-3,5-dihydro-4H- imidazol-4-one2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
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