CCOCN1C=CN=C1C(=O)C(=CC(C(C)C)N(C)C(=O)OC(C)(C)C)C
Nombre: tert-butyl N-[6-[1-(ethoxymethyl)imidazol-2-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-N-methylcarbamate
SMILES: CCOCN1C=CN=C1C(=O)C(=CC(C(C)C)N(C)C(=O)OC(C)(C)C)C

Molecular Processing

Molecular formula
C20H33N3O4
Molecular weight
379.5
Exact mass
379.2471
XLogP
3.9
TPSA
73.66
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
104.56

Supplementary Information

InChIKey: VTSJFCDIVOBMOI-UHFFFAOYSA-N
Sinónimos
SCHEMBL4365819VTSJFCDIVOBMOI-UHFFFAOYSA-N[4-(1-ethoxymethyl-1h-imidazol-2-yl)-1-isopropyl-3-methyl-4-oxo-but-2-enyl]-methyl-carbamic acid tert-butyl ester
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