Basic information
- CAS
354778-58-8- Standard SMILES
CCCCSc1nnc2c(n1)OC(c1ccc(C(C)(C)C)cc1)Nc1ccc(Br)cc1-2- InChIKey
OPWYEYGXSUBDDZ-UHFFFAOYSA-N- Molecular formula
- C24H27BrN4OS
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 498.1089
Names & identifiers
- Preferred name
- 10-Bromo-6-(4-tert-butylphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
- IUPAC
- 10-bromo-6-(4-tert-butylphenyl)-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
- English name
- 10-bromo-6-(4-tert-butylphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
- Molecular formula
- C24H27BrN4OS
- Molecular weight
- 499.46638
Names & synonyms
10-bromo-6-(4-tert-butylphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepineAKOS00035794210-bromo-6-(4-tert-butylphenyl)-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepineAN-655/37364001
Database identifiers
- CAS
354778-58-8- PubChem CID
- 6415371
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 568
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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