(4-Formyl-benzyl)-(3-hydroxy-pyridin-2-ylmethyl)-carbamic acid tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(Cc1ccc(C=O)cc1)Cc1ncccc1O- InChIKey
NFGLQUAPRFPQJK-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4
- Average molar mass
- 342.4 g/mol
Names & identifiers
- Preferred name
- (4-Formyl-benzyl)-(3-hydroxy-pyridin-2-ylmethyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(4-formylphenyl)methyl]-N-[(3-hydroxy-2-pyridinyl)methyl]carbamate
Names & synonyms
SCHEMBL4062705NFGLQUAPRFPQJK-UHFFFAOYSA-N(4-Formyl-benzyl)-(3-hydroxy-pyridin-2-ylmethyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 22018550
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
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Related reactions
3 records
Compound notes
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