名称: 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(4-hydroxybut-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
SMILES:
CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(C#CCCO)c2)N=C1NMolecular Processing
Molecular formula
C21H19F2N3O3
Molecular weight
399.4
Exact mass
399.1394
XLogP
2.05
TPSA
88.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
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
0.238
Molar refractivity
103.27
Supplementary Information
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