Название: [1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] dodecanoate
SMILES:
CCCCCCCCCCCC(=O)OC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)ClMolecular Processing
Molecular formula
C23H32Cl2N2O2
Molecular weight
439.43
Exact mass
438.1841
XLogP
7.4
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
119.37
Supplementary Information
InChIKey: JLXKKJFAGAEVGZ-UHFFFAOYSA-N
Синонимы
CHEMBL3302321SCHEMBL11737577JLXKKJFAGAEVGZ-UHFFFAOYSA-N1-[2,4-dichloro-beta-(n-undecylcarbonyloxy)phenethyl]imidazole
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