CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=C(C=C3F)S(=O)(=O)C
Название: (5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl 4-methylbenzenesulfonate
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=C(C=C3F)S(=O)(=O)C

Molecular Processing

Molecular formula
C17H17FO7S2
Molecular weight
416.45
Exact mass
416.04
XLogP
2.08
TPSA
95.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
93.74

Supplementary Information

InChIKey: WBEFMISIPKWNPE-UHFFFAOYSA-N
Синонимы
SCHEMBL1019476WBEFMISIPKWNPE-UHFFFAOYSA-N[5-fluoro-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate[5-fluoro-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl-4-methylbenzenesulfonate
Источник →
Участвует в 40 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→