4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Basic information
- CAS
860786-69-2- Standard SMILES
Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OCc2ccccc2)cc1- InChIKey
OOQCUKDOQLYZIO-UHFFFAOYSA-N- Molecular formula
- C23H20N4O4
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.14845513
Names & identifiers
- Preferred name
- 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one
- English name
- 4-[4-(Benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- Molecular formula
- C23H20N4O4
- Molecular weight
- 416.43
Names & synonyms
860786-69-24-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one4-[4-(benzyloxy)phenyl]-3-methyl-1-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one4-(4-(Benzyloxy)phenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneAKOS00508150112T-02993H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-2-[(4-nitrophenyl)methyl]-4-[4-(phenylmethoxy)phenyl]-
Database identifiers
- CAS
860786-69-2- PubChem CID
- 5133888
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…