Basic information
- Standard SMILES
COc1cc(CNC(=O)OC(C)(C)C)ccc1-c1cc(Cl)cnc1OC- InChIKey
GPTLXLCUJAPNLE-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O4
- Average molar mass
- 378.8 g/mol
Names & identifiers
- Preferred name
- [4-(5-Chloro-2-methoxy-pyridin-3-yl)-3-methoxy-benzyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[4-(5-chloro-2-methoxy-3-pyridinyl)-3-methoxyphenyl]methyl]carbamate
Names & synonyms
SCHEMBL2009916GPTLXLCUJAPNLE-UHFFFAOYSA-N[4-(5-chloro-2-methoxy-pyridin-3-yl)-3-methoxy-benzyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67246288
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
2 records
Compound notes
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