Nombre: 3-O-tert-butyl 1-O-methyl 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]propanedioate

SMILES: CC(C)(C)OC(=O)C(CC1=CC(=NC=C1)C(F)(F)F)C(=O)OC

Molecular Processing

Molecular formula

C15H18F3NO4

Molecular weight

333.31

Exact mass

333.1188

XLogP

2.77

TPSA

65.49

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

0.533

Molar refractivity

74.29

Supplementary Information

InChIKey: XIDFTLRJMHXZIG-UHFFFAOYSA-N

Sinónimos

SCHEMBL1799417