Basic information
- CAS
108635-35-4- Standard SMILES
COc1ccccc1-n1c(CSc2nc3ccccc3s2)nc2c(Br)cc(Br)cc2c1=O- InChIKey
MFYYZVZJZNSSSF-UHFFFAOYSA-N- Molecular formula
- C23H15Br2N3O2S2
- Average molar mass
- 589.3 g/mol
- Monoisotopic mass
- 586.89724
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-((benzothiazolylthio)methyl)-6,8-dibromo-3-(2-methoxyphenyl)-
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4-one
Names & synonyms
108635-35-44(3H)-Quinazolinone, 2-((benzothiazolylthio)methyl)-6,8-dibromo-3-(2-methoxyphenyl)-2-((Benzothiazolylthio)methyl)-6,8-dibromo-3-(2-methoxyphenyl)-4(3H)-quinazolinoneDTXSID10148649RefChem:283812DTXCID80711402-{[(1,3-Benzothiazol-2-yl)sulfanyl]methyl}-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Database identifiers
- CAS
108635-35-4- PubChem CID
- 64074
- DTXSID
DTXSID10148649
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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