CC(C)(C)OC(=O)N1C(=CC(=N1)OCC2=CC(=CC(=C2)OC)OC)N
CAS: 1035270-71-3
이름: tert-butyl 5-amino-3-[(3,5-dimethoxyphenyl)methoxy]pyrazole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C(=CC(=N1)OCC2=CC(=CC(=C2)OC)OC)N

Molecular Processing

Molecular formula
C17H23N3O5
Molecular weight
349.39
Exact mass
349.1638
XLogP
2.84
TPSA
97.83
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
92.15

Supplementary Information

InChIKey: LNLGCYRHFNXUBR-UHFFFAOYSA-N
동의어
tert-butyl 5-amino-3-[(3,5-dimethoxyphenyl)methoxy]pyrazole-1-carboxylate1035270-71-3SCHEMBL63429LNLGCYRHFNXUBR-UHFFFAOYSA-NDA-48233
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