Basic information
- CAS
1215511-12-8- Standard SMILES
Cc1nc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)sc1CC(=O)O- InChIKey
QFLPLFNPWAKPCC-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2N2O4S
- Average molar mass
- 389.3 g/mol
- Monoisotopic mass
- 388.0051335
Names & identifiers
- Preferred name
- 2-[[2-(2,4-Dichlorophenoxy)-1-oxopropyl]amino]-4-methyl-5-thiazoleacetic acid
- IUPAC
- 2-[2-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
Names & synonyms
DTXSID801138890{2-[2-(2,4-Dichlorophenoxy)propanamido]-4-methyl-1,3-thiazol-5-yl}acetic acid2-[[2-(2,4-Dichlorophenoxy)-1-oxopropyl]amino]-4-methyl-5-thiazoleacetic acid1215511-12-8
Database identifiers
- CAS
1215511-12-8- PubChem CID
- 84246765
- DTXSID
DTXSID801138890
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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