Basic information
- CAS
74875-85-7- Standard SMILES
O=C1CSC(=Nc2ccccc2)N1Cn1cnc2c(Br)cc(Br)cc2c1=O- InChIKey
XZCFYWYNJZMVDT-UHFFFAOYSA-N- Molecular formula
- C18H12Br2N4O2S
- Average molar mass
- 508.2 g/mol
- Monoisotopic mass
- 505.90477
Names & identifiers
- Preferred name
- 6,8-Dibromo-3-((4-oxo-2-phenylimino-3-thiazolidinyl)methyl)-4(3H)-quinazolinone
- IUPAC
- 3-[(6,8-dibromo-4-oxoquinazolin-3-yl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
Names & synonyms
BRN 49473816,8-Dibromo-3-((4-oxo-2-phenylimino-3-thiazolidinyl)methyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 6,8-dibromo-3-((4-oxo-2-phenylimino-3-thiazolidinyl)methyl)-74875-85-7
Database identifiers
- CAS
74875-85-7- PubChem CID
- 63550
- Nikkaji
- J73.072F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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