Название: ethyl N-[5-bromo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]carbamate

SMILES: CCOC(=O)N=C1N(C=C(S1)Br)C2=CC=CC(=C2)C(F)(F)F

Molecular Processing

Molecular formula

C13H10BrF3N2O2S

Molecular weight

395.2

Exact mass

393.9598

XLogP

4.38

TPSA

43.59

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

78.93

Supplementary Information

InChIKey: MXUQOHDYOSTEDZ-UHFFFAOYSA-N

Синонимы

2-ethoxycarbonylimino-3-(3-trifluoromethylpheny)-5-bromothiazolineSCHEMBL90650872-ethoxycarbonylimino-3-(3-trifluoromethylphenyl)-5-bromothiazoline