Basic information
- CAS
442645-76-3- Standard SMILES
CCCCCCSc1nnc2c(n1)OC(c1ccncc1)N(C(C)=O)c1ccccc1-2- InChIKey
GMEIPBILFXFVSQ-UHFFFAOYSA-N- Molecular formula
- C23H25N5O2S
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.17289623
Names & identifiers
- Preferred name
- 1-(3-hexylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone
- IUPAC
- 1-(3-hexylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone
- English name
- 7-acetyl-6-(4-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl hexyl sulfide
- Molecular formula
- C23H25N5O2S
- Molecular weight
- 435.5419
Names & synonyms
1-[3-(hexylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanoneAN-655/15120193STK509238AKOS000356401AKOS0215967261-(3-hexylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanoneEU-0079860SR-01000503248SR-01000503248-17-acetyl-6-(4-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl hexyl sulfide
Database identifiers
- CAS
442645-76-3- PubChem CID
- 6415892
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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