4-(3-Methoxypyridin-2-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
COc1cccnc1N1CCCN(C(=O)OC(C)(C)C)CC1- InChIKey
MTCZEPREPCCJCJ-UHFFFAOYSA-N- Molecular formula
- C16H25N3O3
- Average molar mass
- 307.39 g/mol
Names & identifiers
- Preferred name
- 4-(3-Methoxypyridin-2-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(3-methoxy-2-pyridinyl)-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL3503998MTCZEPREPCCJCJ-UHFFFAOYSA-N4-(3-Methoxypyridin-2-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59366208
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
Related reactions
4 records
Compound notes
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