Basic information
- CAS
354547-11-8- Standard SMILES
CCCCCSc1nnc2c(n1)OC1(Nc3ccccc3-2)C(=O)Nc2ccc(F)cc21- InChIKey
LHEAAMCDLYNVAY-UHFFFAOYSA-N- Molecular formula
- C22H20FN5O2S
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- 5-fluoro-3'-pentylsulfanylspiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one
- IUPAC
- 5-fluoro-3'-pentylsulfanylspiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one
- English name
- 5-fluoro-3'-(pentylsulfanyl)-1,3,6',7'-tetrahydrospiro[2H-indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one
- Molecular formula
- C22H20FN5O2S
- Molecular weight
- 437.4899032
Names & synonyms
AKOS000353734AKOS0242989455-fluoro-3'-pentylsulfanylspiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-oneAK-968/37220048SR-01000502661SR-01000502661-15-fluoro-3'-(pentylsulfanyl)-1,3,6',7'-tetrahydrospiro[2H-indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one5-fluoro-3'-(pentylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one5-fluoro-3'-(pentylthio)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Database identifiers
- CAS
354547-11-8
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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