Название: 3-chloro-2-[3-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]phenol chloride

SMILES: C1C[NH2+]CCC1C2=NC(=CS2)C3=NOC(C3)C4=C(C=CC=C4Cl)O.[Cl-]

Molecular Processing

Molecular formula

C17H19Cl2N3O2S

Molecular weight

400.33

Exact mass

399.0575

XLogP

-0.19

TPSA

71.32

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

0.412

Molar refractivity

93.85

Supplementary Information

InChIKey: XUFXCBPFMFQJSJ-UHFFFAOYSA-N

Синонимы

XUFXCBPFMFQJSJ-UHFFFAOYSA-N4-{4-[5-(2-chloro-6-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidinium chloride