tert-butyl 8-butan-2-yloxy-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
Basic information
- Standard SMILES
CCC(C)Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2- InChIKey
GFLXGMDYZPTMKI-UHFFFAOYSA-N- Molecular formula
- C17H26N2O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.18925731
Names & identifiers
- Preferred name
- tert-butyl 8-butan-2-yloxy-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
- IUPAC
- tert-butyl 8-butan-2-yloxy-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
Names & synonyms
SCHEMBL2902492
Database identifiers
- PubChem CID
- 68434136
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
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Related reactions
3 records
Compound notes
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