1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
Basic information
- CAS
736971-95-2- Standard SMILES
COc1ccc(C(C)=NOCc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1- InChIKey
NVNJMFVZNOUZNV-UHFFFAOYSA-N- Molecular formula
- C22H23N5O2S
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.15724617
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
- IUPAC
- 1-(4-methoxyphenyl)-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)ethanimine
Names & synonyms
DTXSID8011019341-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime736971-95-2
Database identifiers
- CAS
736971-95-2- PubChem CID
- 3754780
- DTXSID
DTXSID801101934
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…