Basic information
- CAS
1189428-24-7- Standard SMILES
Cc1ccc(C)c(C(=O)Cn2nc3n(Cc4ccccc4)c(=O)c4ccccc4n3c2=O)c1- InChIKey
XXRZJTUNKWPDHN-UHFFFAOYSA-N- Molecular formula
- C26H22N4O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.16919058
Names & identifiers
- Preferred name
- 4-Benzyl-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
- IUPAC
- 4-benzyl-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
Names & synonyms
1189428-24-74-benzyl-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dioneDTXSID701109028HMS3487L13AKOS021873850NCGC00680615-014-benzyl-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione2-[2-(2,5-Dimethylphenyl)-2-oxoethyl]-2,4-dihydro-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione4-BENZYL-2-[2-(2,5-DIMETHYLPHENYL)-2-OXOETHYL]-1H,2H,4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINAZOLINE-1,5-DIONE
Database identifiers
- CAS
1189428-24-7- PubChem CID
- 53005168
- DTXSID
DTXSID701109028
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 820
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…