Basic information
- CAS
587841-54-1- Standard SMILES
CCc1ccc(OCC(=O)NC(=S)Nc2cccc(C(C)=O)c2)c(Br)c1- InChIKey
WRIJDNHOUBNEEX-UHFFFAOYSA-N- Molecular formula
- C19H19BrN2O3S
- Average molar mass
- 435.3 g/mol
- Monoisotopic mass
- 434.02998
Names & identifiers
- Preferred name
- N-[(3-acetylphenyl)carbamothioyl]-2-(2-bromo-4-ethylphenoxy)acetamide
- IUPAC
- N-[(3-acetylphenyl)carbamothioyl]-2-(2-bromo-4-ethylphenoxy)acetamide
- English name
- N-{[(3-acetylphenyl)amino]carbonothioyl}-2-(2-bromo-4-ethylphenoxy)acetamide
- Molecular formula
- C19H19BrN2O3S
- Molecular weight
- 435.33
Names & synonyms
N-[(3-acetylphenyl)carbamothioyl]-2-(2-bromo-4-ethylphenoxy)acetamideSTK122649AKOS000494680AN-329/41770725N-(3-acetylphenyl)-N'-[(2-bromo-4-ethylphenoxy)acetyl]thioureaN-{[(3-acetylphenyl)amino]carbonothioyl}-2-(2-bromo-4-ethylphenoxy)acetamideAcetamide, N-[[(3-acetylphenyl)amino]thioxomethyl]-2-(2-bromo-4-ethylphenoxy)-
Database identifiers
- CAS
587841-54-1- PubChem CID
- 1015265
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Density
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.70(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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