CCOC(=C)C1=NC(=C(C=C1NC(=O)OC(C)(C)C)F)OC
名称: tert-butyl N-[2-(1-ethoxyethenyl)-5-fluoro-6-methoxy-3-pyridinyl]carbamate
SMILES: CCOC(=C)C1=NC(=C(C=C1NC(=O)OC(C)(C)C)F)OC

Molecular Processing

Molecular formula
C15H21FN2O4
Molecular weight
312.34
Exact mass
312.1485
XLogP
3.58
TPSA
69.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
81.26

Supplementary Information

InChIKey: ROSJDJDTZZGTFF-UHFFFAOYSA-N
同義語
ROSJDJDTZZGTFF-UHFFFAOYSA-N1,1-Dimethylethyl [2-[1-(ethyloxy)ethenyl]-5-fluoro-6-(methyloxy)-3-pyridinyl]carbamate
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