Название: [(2R)-5-chloro-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=C3Cl)S(=O)(=O)C

Molecular Processing

Molecular formula

C17H17ClO7S2

Molecular weight

432.9

Exact mass

432.0104

XLogP

2.6

TPSA

95.97

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.294

Molar refractivity

98.79

Supplementary Information

InChIKey: KDGCEARGZKBUBI-GFCCVEGCSA-N

Синонимы

SCHEMBL1019889KDGCEARGZKBUBI-GFCCVEGCSA-N[(2R)-5-chloro-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate