Basic information
- CAS
743445-70-7- Standard SMILES
CC(C)(C)NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21- InChIKey
YGBUNAZFHRTNFJ-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- [2-(tert-butylamino)-2-oxoethyl] 9H-xanthene-9-carboxylate
- IUPAC
- [2-(tert-butylamino)-2-oxoethyl] 9H-xanthene-9-carboxylate
Names & synonyms
[2-(tert-butylamino)-2-oxoethyl] 9H-xanthene-9-carboxylateMLS001174523CHEMBL1362409DTXSID001320887HMS2909J11AKOS033612850743445-70-7SMR000589525Z183668252-(tert-Butylamino)-2-oxoethyl 9H-xanthene-9-carboxylate
Database identifiers
- CAS
743445-70-7- PubChem CID
- 2118973
- DTXSID
DTXSID001320887- ChEMBL
CHEMBL1362409
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Solubility48.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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