2-(2-bromo-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
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Basic information
- CAS
667903-31-3- Standard SMILES
COCc1nnc(NC(=O)COc2ccc(C)cc2Br)s1- InChIKey
QJEBUPNUZIRICS-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3O3S
- Average molar mass
- 372.24 g/mol
- Monoisotopic mass
- 370.99393
Names & identifiers
- Preferred name
- 2-(2-bromo-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
- IUPAC
- 2-(2-bromo-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
- English name
- 2-(2-bromo-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
- Molecular formula
- C13H14BrN3O3S
- Molecular weight
- 372.24
Names & synonyms
2-(2-bromo-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamideAKOS002248444ST083126AP-906/420862112-(2-bromo-4-methylphenoxy)-N-[5-(methoxymethyl)(1,3,4-thiadiazol-2-yl)]acetam ideAcetamide, 2-(2-bromo-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-
Database identifiers
- CAS
667903-31-3- PubChem CID
- 1194363
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Density
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- pka
- 7.54 · 7.54±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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