2-[[4-Methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Basic information
- CAS
498548-96-2- Standard SMILES
Cn1c(COc2ccccc2)nnc1SCC(=O)N1CCOCC1- InChIKey
AYCKNQJDDLNJDN-UHFFFAOYSA-N- Molecular formula
- C16H20N4O3S
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.12561169
Names & identifiers
- Preferred name
- 2-[[4-Methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
- IUPAC
- 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Names & synonyms
498548-96-22-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone2-{[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-oneOprea1_642966DTXSID801128932STK497866AKOS0003703712-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)morpholine
Database identifiers
- CAS
498548-96-2- PubChem CID
- 860232
- DTXSID
DTXSID801128932
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
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Related reactions
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Compound notes
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