Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1Cl- InChIKey
MFDNAUNHXPBBDG-UHFFFAOYSA-N- Molecular formula
- C25H27ClN4O4
- Average molar mass
- 483 g/mol
Names & identifiers
- Preferred name
- methyl 4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-chlorobenzoate
- IUPAC
- methyl 4-[[1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamoyl]-2-chlorobenzoate
Names & synonyms
SCHEMBL1483482MFDNAUNHXPBBDG-UHFFFAOYSA-Nmethyl 4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-chlorobenzoate
Database identifiers
- PubChem CID
- 86604754
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 763
Related reactions
6 records
Compound notes
Loading…