Basic information
- Standard SMILES
Cc1ncc(CNC(=O)c2ccc(C(C)(C)C)cc2)c2c1OC(C)(C)OC2- InChIKey
QVBDQHVNGCGYDO-UHFFFAOYSA-N- Molecular formula
- C22H28N2O3
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.20999276
Names & identifiers
- Preferred name
- 4-tert-Butyl-N-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl-methyl)-benzamide
- IUPAC
- 4-tert-butyl-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]benzamide
Names & synonyms
SCHEMBL3442146QVBDQHVNGCGYDO-UHFFFAOYSA-N4-tert-Butyl-N-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl-methyl)-benzamide
Database identifiers
- PubChem CID
- 58636833
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
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