Basic information
- CAS
126006-79-9- Standard SMILES
Cc1ccc(NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(C)c1- InChIKey
GMCAEPMVLWUDEH-UHFFFAOYSA-N- Molecular formula
- C23H23N3O2S
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.15109816
Names & identifiers
- Preferred name
- Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide
- IUPAC
- 1-(2,4-dimethylphenyl)-3-[[2-(4-phenylphenoxy)acetyl]amino]thiourea
Names & synonyms
Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide((1,1'-Biphenyl)-4-yloxy)acetic acid 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide126006-79-9DTXSID80155047RefChem:315855DTXCID80775382-{[([1,1'-Biphenyl]-4-yl)oxy]acetyl}-N-(2,4-dimethylphenyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
126006-79-9- PubChem CID
- 3079554
- DTXSID
DTXSID80155047
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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