2-[[2-(2-bromobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Basic information
- CAS
443741-21-7- Standard SMILES
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)c2ccccc2Br)cc1- InChIKey
LRBBIZMGSAGEDR-UHFFFAOYSA-N- Molecular formula
- C24H19BrN4O2S
- Average molar mass
- 507.4 g/mol
- Monoisotopic mass
- 506.04121
Names & identifiers
- Preferred name
- 2-[[2-(2-bromobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
- IUPAC
- 2-[[2-(2-bromobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
- English name
- 2-{[1-(2-bromobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-yl]sulfanyl}-N-(4-methylphenyl)acetamide
- Molecular formula
- C24H19BrN4O2S
- Molecular weight
- 507.40226
Names & synonyms
2-{[1-(2-bromobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-yl]sulfanyl}-N-(4-methylphenyl)acetamideAKOS0005877892-[[2-(2-bromobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamideST50259401AG-690/407511952-{1-[(2-bromophenyl)carbonyl]-3-phenyl(1,2,4-triazol-5-ylthio)}-N-(4-methylph enyl)acetamide
Database identifiers
- CAS
443741-21-7- PubChem CID
- 995221
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 639
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Compound notes
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