N-{1-[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-fluorobenzamide
Basic information
- CAS
694499-31-5- Standard SMILES
CCOc1ccc(NC(=O)CSc2nnc(C(NC(=O)c3ccc(F)cc3)C(C)C)n2CC)cc1- InChIKey
GXCFOXNZAXUUNG-UHFFFAOYSA-N- Molecular formula
- C25H30FN5O3S
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.20533917
Names & identifiers
- Preferred name
- N-{1-[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-fluorobenzamide
- IUPAC
- N-[1-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-fluorobenzamide
Names & synonyms
694499-31-5N-{1-[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-fluorobenzamideN-[1-[5-[[2-[(4-Ethoxyphenyl)amino]-2-oxoethyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl]-4-fluorobenzamideN-{1-[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}thio)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-fluorobenzamideDTXSID801105831STK121606AKOS003669616AKOS022077731N-[1-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-fluorobenzamide
Database identifiers
- CAS
694499-31-5- PubChem CID
- 2947686
- DTXSID
DTXSID801105831
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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