Название: 4-(2,2-diethoxyethyl)-3-(α-methylbenzyl)-5-methylthio-4H-1,2,4-triazole
SMILES:
CCOC(Cn1c(SC)nnc1C(C)c1ccccc1)OCCMolecular Processing
Molecular formula
C17H25N3O2S
Molecular weight
335.47
Exact mass
335.1667
XLogP
3.55
TPSA
49.17
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
92.8
Supplementary Information
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