Nom: 4-[[5-(3,5-dichlorophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]pyridine

SMILES: CC(C)c1nc(COCc2ccccc2)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

Molecular Processing

Molecular formula

C26H25Cl2N3OS

Molecular weight

498.48

Exact mass

497.1095

XLogP

7.62

TPSA

39.94

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

0.231

Molar refractivity

135.17

Supplementary Information

InChIKey: AKMVVKXBPUIXFR-UHFFFAOYSA-N

Synonymes

SCHEMBL5853114AKMVVKXBPUIXFR-UHFFFAOYSA-N2-Benzyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-4-yl)methyl-1H-imidazole