Basic information
- Standard SMILES
CCOC(=O)C(C(=O)Nc1nccs1)C(=O)c1cccc(C(F)(F)F)c1NC(=O)C(Cl)C(C)C- InChIKey
UBTHEYRMSBCXRR-UHFFFAOYSA-N- Molecular formula
- C21H21ClF3N3O5S
- Average molar mass
- 519.9 g/mol
- Monoisotopic mass
- 519.0842541
Names & identifiers
- Preferred name
- Ethyl 2-[(2-chloro-1-oxo-3-methylbutyl)-amino]-beta-oxo-alpha-[(2-thiazolylamino)-carbonyl]-3-trifluoromethyl-benzene-propanoate
- IUPAC
- ethyl 2-[2-[(2-chloro-3-methylbutanoyl)amino]-3-(trifluoromethyl)benzoyl]-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate
Names & synonyms
ethyl 2-[(2-chloro-1-oxo-3-methylbutyl)-amino]-beta-oxo-alpha-[(2-thiazolylamino)-carbonyl]-3-trifluoromethyl-benzene-propanoateSCHEMBL10733307
Database identifiers
- PubChem CID
- 13655618
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 770
Related reactions
1 records
Compound notes
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