Nom: 2-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid

SMILES: CC(C)(C)OC(=O)C(C)(C)SC1=NC(=CS1)CC(=O)O

Molecular Processing

Molecular formula

C13H19NO4S2

Molecular weight

317.43

Exact mass

317.0756

XLogP

2.98

TPSA

76.49

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

0.615

Molar refractivity

79.23

Supplementary Information

InChIKey: KADFMYAQACHHIP-UHFFFAOYSA-N

Synonymes

SCHEMBL2414685KADFMYAQACHHIP-UHFFFAOYSA-N{2-[(2-tert-butoxy-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}acetic acid