Basic information
- CAS
85178-74-1- Standard SMILES
O=c1c2cc(Br)ccc2nc(OCc2ccc([N+](=O)[O-])cc2)n1-c1nccs1- InChIKey
FXXDFTSPSPZGMF-UHFFFAOYSA-N- Molecular formula
- C18H11BrN4O4S
- Average molar mass
- 459.3 g/mol
- Monoisotopic mass
- 457.96844
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-2-((4-nitrophenyl)methoxy)-3-(2-thiazolyl)-
- IUPAC
- 6-bromo-2-[(4-nitrophenyl)methoxy]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Names & synonyms
85178-74-14(3H)-Quinazolinone, 6-bromo-2-((4-nitrophenyl)methoxy)-3-(2-thiazolyl)-6-Bromo-2-((4-nitrophenyl)methoxy)-3-(2-thiazolyl)-4(3H)-quinazolinoneDTXSID50234353RefChem:284251DTXCID501568446-Bromo-2-[(4-nitrophenyl)methoxy]-3-(1,3-thiazol-2-yl)quinazolin-4(3H)-one
Database identifiers
- CAS
85178-74-1- PubChem CID
- 64093
- DTXSID
DTXSID50234353
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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