N-[1-(5-{[2-(4-methoxyphenoxy)ethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
Basic information
- CAS
713500-91-5- Standard SMILES
COc1ccc(CC(=O)NC(C)c2nnc(SCCOc3ccc(OC)cc3)n2C)cc1- InChIKey
QDJVFHBYTWCAGR-UHFFFAOYSA-N- Molecular formula
- C23H28N4O4S
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.18312656
Names & identifiers
- Preferred name
- N-[1-(5-{[2-(4-methoxyphenoxy)ethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
- IUPAC
- N-[1-[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
Names & synonyms
713500-91-5N-[1-(5-{[2-(4-methoxyphenoxy)ethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamideSMR000143784MLS000537346MLS002547539CHEMBL1323487DTXSID901110635HMS2412A05N-[1-[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide4-Methoxy-N-[1-[5-[[2-(4-methoxyphenoxy)ethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]ethyl]benzeneacetamide
Database identifiers
- CAS
713500-91-5- PubChem CID
- 2966450
- DTXSID
DTXSID901110635- ChEMBL
CHEMBL1323487
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 556
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Compound notes
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