Название: ethyl 2-(2-tert-butyl-4-chloropyrimidin-5-yl)-3-methylbutanoate
SMILES:
CCOC(=O)C(C1=CN=C(N=C1Cl)C(C)(C)C)C(C)CMolecular Processing
Molecular formula
C15H23ClN2O2
Molecular weight
298.81
Exact mass
298.1448
XLogP
3.73
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
79.95
Supplementary Information
InChIKey: NUDWJLPDWMUKIH-UHFFFAOYSA-N
Синонимы
SCHEMBL10688059NUDWJLPDWMUKIH-UHFFFAOYSA-Nethyl (RS)-2-[2-(2-methylprop-2-yl)-4-chloropyrimidin-5-yl]-3-methylbutyrate
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