Basic information
- Standard SMILES
CCNC(=O)c1ccc(-n2nnc(C(=O)OCC)c2COc2cccc(C)c2)cc1- InChIKey
HFNKYUMTKCOJMP-UHFFFAOYSA-N- Molecular formula
- C22H24N4O4
- Average molar mass
- 408.4 g/mol
Names & identifiers
- Preferred name
- ethyl 1-{4-[(ethylamino)carbonyl]phenyl}-5-[(3-methylphenoxy)methyl]-1H-1,2,3-triazole-4-carboxylate
- IUPAC
- ethyl 1-[4-(ethylcarbamoyl)phenyl]-5-[(3-methylphenoxy)methyl]triazole-4-carboxylate
Names & synonyms
SCHEMBL3107085HFNKYUMTKCOJMP-UHFFFAOYSA-Nethyl 1-{4-[(ethylamino)carbonyl]phenyl}-5-[(3-methylphenoxy)methyl]-1H-1,2,3-triazole-4-carboxylate
Database identifiers
- PubChem CID
- 68514331
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
2 records
Compound notes
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