N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
Basic information
- CAS
6182-99-6- Standard SMILES
CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccc(F)cc2)cc1- InChIKey
YIGFSTFUUVJJOM-UHFFFAOYSA-N- Molecular formula
- C26H24FN5O3S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.15838898
Names & identifiers
- Preferred name
- N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
- IUPAC
- N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
Names & synonyms
6182-99-6N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide391897-84-0N-{[5-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamideF0507-0145DTXSID10411502AKOS024578812N-((5-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamideN-{[5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Database identifiers
- CAS
6182-99-6- PubChem CID
- 5226938
- DTXSID
DTXSID10411502
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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