5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
Basic information
- CAS
852398-27-7- Standard SMILES
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nncn1C- InChIKey
OQIKUOMETCCREY-UHFFFAOYSA-N- Molecular formula
- C13H14ClN5O3S
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.0505882
Names & identifiers
- Preferred name
- 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
- IUPAC
- 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
Names & synonyms
5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazideMLS002251919CHEMBL1725851DTXSID501325175HMS3086N12AKOS0337123095-Chloro-2-methoxy-N'-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)benzohydrazide852398-27-7SMR001314283Z198130095-Chloro-2-methoxy-N'-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}benzohydrazide
Database identifiers
- CAS
852398-27-7- PubChem CID
- 4779955
- DTXSID
DTXSID501325175- ChEMBL
CHEMBL1725851
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility23.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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