4-[2-[[4-Amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
Basic information
- CAS
5529-06-6- Standard SMILES
Nn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(OC(F)F)cc1- InChIKey
QWNOLVRBVKNYKQ-UHFFFAOYSA-N- Molecular formula
- C19H16F2N6O3S
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.09726589
Names & identifiers
- Preferred name
- 4-[2-[[4-Amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
- IUPAC
- 4-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
Names & synonyms
5529-06-64-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-oneDTXSID70366640AKOS033944102AB00724758-01Z255752354-[({4-Amino-5-[4-(difluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1H)-one
Database identifiers
- CAS
5529-06-6- PubChem CID
- 2120983
- DTXSID
DTXSID70366640
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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