Basic information
- CAS
74875-81-3- Standard SMILES
O=C1CSC(=Nc2ccccc2)N1Cn1cnc2ccc(Br)cc2c1=O- InChIKey
YXQYNXWQZDQERD-UHFFFAOYSA-N- Molecular formula
- C18H13BrN4O2S
- Average molar mass
- 429.3 g/mol
- Monoisotopic mass
- 427.99426
Names & identifiers
- Preferred name
- 6-Bromo-3-((4-oxo-2-phenylimino-3-thiazolidinyl)methyl)-4(3H)-quinazolinone
- IUPAC
- 3-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
Names & synonyms
BRN 49472086-Bromo-3-((4-oxo-2-phenylimino-3-thiazolidinyl)methyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 6-bromo-3-((4-oxo-2-phenylimino-3-thiazolidinyl)methyl)-74875-81-3
Database identifiers
- CAS
74875-81-3- PubChem CID
- 63282
- Nikkaji
- J73.046G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…