Basic information
- Standard SMILES
COc1ccc(Cl)cc1[C@]1(F)C(=O)N(C(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C)c2cc(C(F)(F)F)ccc21- InChIKey
YLNLJLUCGHBOLK-VWLOTQADSA-N- Molecular formula
- C26H29ClF4NO8P
- Average molar mass
- 625.9 g/mol
Names & identifiers
- Preferred name
- (S)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-2-oxo-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid di-tert-butoxy-phosphoryloxymethyl ester
- IUPAC
- bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl (3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indole-1-carboxylate
Names & synonyms
(S)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-2-oxo-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid di-tert-butoxy-phosphoryloxymethyl esterSCHEMBL5146204
Database identifiers
- PubChem CID
- 69330817
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 999
Related reactions
2 records
Compound notes
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