isopropyl 4-({[1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]carbonyl}amino)benzoate
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Basic information
- CAS
1034735-72-2- Standard SMILES
Cc1ccc(-n2cnc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1- InChIKey
BVVUTXBDQLMDTD-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.15354051
Names & identifiers
- Preferred name
- isopropyl 4-({[1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]carbonyl}amino)benzoate
- IUPAC
- propan-2-yl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
- English name
- isopropyl 4-({[1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]carbonyl}amino)benzoate
- Molecular formula
- C20H20N4O3
- Molecular weight
- 364.3978
Names & synonyms
isopropyl 4-({[1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]carbonyl}amino)benzoateAP-501/43397736propan-2-yl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
Database identifiers
- CAS
1034735-72-2- PubChem CID
- 24825051
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
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Compound notes
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