Name: 1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-methylimidazolyl)prop-2-en-1-one
SMILES:
Cc1c[nH]c(C(=CN(C)C)C(=O)c2ccc(Cl)cc2Cl)n1Molecular Processing
Molecular formula
C15H15Cl2N3O
Molecular weight
324.21
Exact mass
323.0592
XLogP
3.81
TPSA
48.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
85.78
Supplementary Information
Details werden geladen…
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