Nombre: 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine
SMILES:
CC1(OCCO1)C2=CC=C(S2)CN3N=CC(=N3)NMolecular Processing
Molecular formula
C11H14N4O2S
Molecular weight
266.33
Exact mass
266.0837
XLogP
1.19
TPSA
75.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
67.11
Supplementary Information
InChIKey: VISSXUUHRIHANK-UHFFFAOYSA-N
Sinónimos
SCHEMBL2327367VISSXUUHRIHANK-UHFFFAOYSA-N2-[5-(2-Methyl-[1,3]dioxolan-2-yl)-thiophen-2-ylmethyl]-2H-[1,2,3]triazol-4-ylamine
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