CC(=O)OCCOC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)N)C
Name: 2-[5-amino-4-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]oxyethyl acetate
SMILES: CC(=O)OCCOC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)N)C

Molecular Processing

Molecular formula
C15H17N3O5
Molecular weight
319.32
Exact mass
319.1168
XLogP
1.34
TPSA
97.83
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
81.31

Supplementary Information

InChIKey: WCMASXVTNGOKQT-UHFFFAOYSA-N
Synonyme
2-{[5-amino-4-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-yl)oxy}ethyl acetate2-{[5-amino-4-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-yl]oxy}ethyl acetateSCHEMBL6289234WCMASXVTNGOKQT-UHFFFAOYSA-N
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