Basic information
- CAS
6079-72-7- Standard SMILES
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCc1ccco1- InChIKey
DAAQKDNTWHJYNF-UHFFFAOYSA-N- Molecular formula
- C20H17N5O2S
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.11029598
Names & identifiers
- Preferred name
- N-((Furan-2-yl)methyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetamide
- IUPAC
- N-(furan-2-ylmethyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Names & synonyms
N-[(Furan-2-yl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide6079-72-7DTXSID40360039N-((Furan-2-yl)methyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetamideRefChem:1090723DTXCID90311091325693-57-0N-(furan-2-ylmethyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideCBMicro_044519CCG-17109STK877905AKOS000534677
Show more names
N-(furan-2-ylmethyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamideBIM-0044663.P001ST50287670ST51050539AF-399/14182002SR-01000441983SR-01000441983-1Z20250563
Database identifiers
- CAS
6079-72-7- PubChem CID
- 1069482
- DTXSID
DTXSID40360039
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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