Basic information
- CAS
312287-61-9- Standard SMILES
O=C(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccc(Br)cc2)nc1=S- InChIKey
VTABORFSBSMVKA-UHFFFAOYSA-N- Molecular formula
- C23H14BrNO2S
- Average molar mass
- 448.3 g/mol
Names & identifiers
- Preferred name
- [2-(4-bromophenyl)-6-phenyl-4-thioxo-4H-1,3-oxazin-5-yl](phenyl)methanone
- IUPAC
- [2-(4-bromophenyl)-6-phenyl-4-sulfanylidene-1,3-oxazin-5-yl]-phenylmethanone
- English name
- [2-(4-bromophenyl)-6-phenyl-4-thioxo-4H-1,3-oxazin-5-yl](phenyl)methanone
- Molecular formula
- C23H14BrNO2S
- Molecular weight
- 448.33176
Names & synonyms
[2-(4-bromophenyl)-6-phenyl-4-thioxo-4H-1,3-oxazin-5-yl](phenyl)methanoneSTK758101[2-(4-bromophenyl)-6-phenyl-4-sulfanylidene-1,3-oxazin-5-yl]-phenylmethanoneAKOS001022846AG-205/36734048SR-01000519988SR-01000519988-1Z567959795-BENZOYL-2-(4-BROMOPHENYL)-6-PHENYL-4H-1,3-OXAZINE-4-THIONE
Database identifiers
- CAS
312287-61-9
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 666
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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