Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC1COc1cncc(C2CC2COCc2ccccc2)c1- InChIKey
OFLWCXLUHFXHSQ-UHFFFAOYSA-N- Molecular formula
- C25H32N2O4
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.23620751
Names & identifiers
- Preferred name
- Tert-butyl 2-[[5-[2-(phenylmethoxymethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
- IUPAC
- tert-butyl 2-[[5-[2-(phenylmethoxymethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
Database identifiers
- PubChem CID
- 72273151
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
Loading…