2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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Basic information
- CAS
335399-95-6- Standard SMILES
O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1- InChIKey
DERDXCNVTFUZSI-UHFFFAOYSA-N- Molecular formula
- C25H21F3N4OS
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.13881697
Names & identifiers
- Preferred name
- 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
- English name
- 2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
- Molecular formula
- C25H21F3N4OS
- Molecular weight
- 482.52
Names & synonyms
2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamideAKOS0005638772-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamideST50263830AG-690/407534332-[4,5-bisbenzyl(1,2,4-triazol-3-ylthio)]-N-[3-(trifluoromethyl)phenyl]acetami deAcetamide, 2-[[4,5-bis(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
335399-95-6- PubChem CID
- 1130205
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 12.53 · 12.53±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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