2-(4-chlorobenzyl)-5-methyl-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Basic information
- CAS
860784-90-3- Standard SMILES
Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Oc2ccccc2)cc1- InChIKey
VYGJMILWYDUYNW-UHFFFAOYSA-N- Molecular formula
- C22H18ClN3O2
- Average molar mass
- 391.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-chlorobenzyl)-5-methyl-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one
- English name
- 2-(4-Chlorobenzyl)-5-methyl-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- Molecular formula
- C22H18ClN3O2
- Molecular weight
- 391.85
Names & synonyms
860784-90-32-(4-chlorobenzyl)-5-methyl-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one1-[(4-chlorophenyl)methyl]-3-methyl-4-(4-phenoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-oneAKOS00508145512T-03353H-1,2,4-Triazol-3-one, 2-[(4-chlorophenyl)methyl]-2,4-dihydro-5-methyl-4-(4-phenoxyphenyl)-
Database identifiers
- CAS
860784-90-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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