Nombre: tert-butyl 4-(3-chloro-2-fluorobenzoyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCN(C(C1)COC2=CN=CC=C2)C(=O)C3=C(C(=CC=C3)Cl)F

Molecular Processing

Molecular formula

C22H25ClFN3O4

Molecular weight

449.91

Exact mass

449.1518

XLogP

4.01

TPSA

71.97

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

0.409

Molar refractivity

113.77

Supplementary Information

InChIKey: IJXKMQAOWBYRSH-UHFFFAOYSA-N

Sinónimos

SCHEMBL779591IJXKMQAOWBYRSH-UHFFFAOYSA-Ntert-butyl 4-(3-chloro-2-fluorobenzoyl)-3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate