Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(-c2cnc(NCC(C)=O)s2)cc1)C(=O)OC- InChIKey
QTROFDNGQSVZTD-HNNXBMFYSA-N- Molecular formula
- C18H22N2O4S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.13002836
Names & identifiers
- Preferred name
- methyl 3-{4-[2-(acetylmethylamino)thiazol-5-yl]phenyl}-2(S)-ethoxypropanoate
- IUPAC
- methyl (2S)-2-ethoxy-3-[4-[2-(2-oxopropylamino)-1,3-thiazol-5-yl]phenyl]propanoate
Names & synonyms
SCHEMBL1749392QTROFDNGQSVZTD-HNNXBMFYSA-Nmethyl 3-{4-[2-(acetylmethylamino)thiazol-5-yl]phenyl}-2(S)-ethoxypropanoate
Database identifiers
- PubChem CID
- 86606237
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Related reactions
6 records
Compound notes
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