Basic information
- CAS
183721-16-6- Standard SMILES
O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccc(Br)o3)nn12)c1ccccc1- InChIKey
NKVPLKHIGQJTFT-UHFFFAOYSA-N- Molecular formula
- C20H11BrClN5O2
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 466.97846
Names & identifiers
- Preferred name
- N-[2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-benzamide
- IUPAC
- N-[2-(5-bromofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]benzamide
Names & synonyms
CHEMBL317157DTXSID001134537BDBM50053935183721-16-6N-[2-(5-Bromo-2-furanyl)-9-chloro[1,2,4]triazolo[1,5-c]quinazolin-5-yl]benzamideN-[2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-benzamideN-[2-(5-Bromofuran-2-yl)-9-chloro[1,2,4]triazolo[1,5-c]quinazolin-5-yl]benzamide
Database identifiers
- CAS
183721-16-6- PubChem CID
- 10695619
- DTXSID
DTXSID001134537- ChEMBL
CHEMBL317157- Nikkaji
- J777.914C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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