4-(4-Tert-butoxycarbonylamino-naphthalen-1-yloxy)-pyrimidine-2-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1nccc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)n1- InChIKey
QFMZVDAQCVLWBZ-UHFFFAOYSA-N- Molecular formula
- C21H21N3O5
- Average molar mass
- 395.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Tert-butoxycarbonylamino-naphthalen-1-yloxy)-pyrimidine-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]oxypyrimidine-2-carboxylate
Names & synonyms
SCHEMBL6300861QFMZVDAQCVLWBZ-UHFFFAOYSA-N4-(4-tert-butoxycarbonylamino-naphthalen-1-yloxy)-pyrimidine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69735532
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 579
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Related reactions
2 records
Compound notes
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