CAS: 1232423-55-0
이름: tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILES:
CC(C)(C)OC(=O)N(C1=NC=C(N=C1C#C)Br)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C16H20BrN3O4
Molecular weight
398.26
Exact mass
397.0637
XLogP
3.9
TPSA
81.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
92.61
Supplementary Information
InChIKey: PLHJZPJJSJPZJV-UHFFFAOYSA-N
동의어
1232423-55-0tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-(tert-butoxycarbonyl)carbamateDitert-butyl 5-bromo-3-ethynylpyrazin-2-ylcarbamatetert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(tert-butoxy)carbonyl]carbamateImidodicarbonic acid, 2-(5-bromo-3-ethynyl-2-pyrazinyl)-, 1,3-bis(1,1-dimethylethyl) estertert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamatetert-butyl N-(5-bromo-3-ethynyl-pyrazin-2-yl)-N-tert-butoxycarbonyl-carbamateMFCD26393897C16H20BrN3O4SCHEMBL506789SCHEMBL31349701PLHJZPJJSJPZJV-UHFFFAOYSA-NCS-M3194AKOS037650528CS-14929DB-327493Ditert-butyl5-bromo-3-ethynylpyrazin-2-ylcarbamateF790093tert-butyl (5-bromo-3-ethynylpyrazin-2-yl)(tert-butoxycarbonyl)carbamatetert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-tert-butoxycarbonylcarbamate
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