Название: tert-butyl N-[2-(4-bromophenoxy)ethyl]-N-(4,4-dimethylcyclohexyl)carbamate

SMILES: CC1(CCC(CC1)N(CCOC2=CC=C(C=C2)Br)C(=O)OC(C)(C)C)C

Molecular Processing

Molecular formula

C21H32BrNO3

Molecular weight

426.4

Exact mass

425.1566

XLogP

6.03

TPSA

38.77

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

0.667

Molar refractivity

108.61

Supplementary Information

InChIKey: SKPKDNJQDAJFAD-UHFFFAOYSA-N

Синонимы

SCHEMBL1786986SKPKDNJQDAJFAD-UHFFFAOYSA-N1,1-Dimethylethyl {2-[(4-bromophenyl)oxy]ethyl}(4,4-dimethylcyclohexyl)carbamate