Methyl 3-[4-[(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoate
Basic information
- Standard SMILES
COC(=O)CCn1cc(C=C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)nn1- InChIKey
YPXAQQKGPVRROT-UHFFFAOYSA-N- Molecular formula
- C31H32N4O3
- Average molar mass
- 508.6 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[4-[(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoate
- IUPAC
- methyl 3-[4-[(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoate
Names & synonyms
SCHEMBL3732025
Database identifiers
- PubChem CID
- 68765183
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
Loading…