CC(=O)OCC1=CC(=C(C=N1)SC(C)(C)C)OCC2=CC=CC=C2
Nom: (5-tert-butylsulfanyl-4-phenylmethoxy-2-pyridinyl)methyl acetate
SMILES: CC(=O)OCC1=CC(=C(C=N1)SC(C)(C)C)OCC2=CC=CC=C2

Molecular Processing

Molecular formula
C19H23NO3S
Molecular weight
345.46
Exact mass
345.1399
XLogP
4.61
TPSA
48.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
96.09

Supplementary Information

InChIKey: XAYLCFXENJQQLA-UHFFFAOYSA-N
Synonymes
SCHEMBL3329774XAYLCFXENJQQLA-UHFFFAOYSA-N(5-[(1,1-dimethylethyl)thio]-4-[(phenylmethyl)oxy]-2-pyridinyl}methyl acetate
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→