Basic information
- CAS
280571-75-7- Standard SMILES
O=C(C=C(O)c1ncn[nH]1)c1ccc(Cc2cccs2)o1- InChIKey
OCLMXOGQLCWSCY-UHFFFAOYSA-N- Molecular formula
- C14H11N3O3S
- Average molar mass
- 301.32 g/mol
- Monoisotopic mass
- 301.05211239
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-hydroxy-1-(5-(2-thienylmethyl)-2-furanyl)-3-(1H-1,2,4-triazol-3-yl)-
- IUPAC
- 3-hydroxy-1-[5-(thiophen-2-ylmethyl)furan-2-yl]-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-75-72-Propen-1-one, 3-hydroxy-1-(5-(2-thienylmethyl)-2-furanyl)-3-(1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 3-hydroxy-1-[5-(2-thienylmethyl)-2-furanyl]-3-(1H-1,2,4-triazol-3-yl)-DTXSID80950751(Z)-3-hydroxy-1-[5-(2-thienylmethyl)-2-furyl]-3-(4H-1,2,4-triazol-3-yl)prop-2-en-1-one3-Hydroxy-1-{5-[(thiophen-2-yl)methyl]furan-2-yl}-3-(1H-1,2,4-triazol-3-yl)prop-2-en-1-one
Database identifiers
- CAS
280571-75-7- PubChem CID
- 489201
- DTXSID
DTXSID80950751
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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