Basic information
- Standard SMILES
COC(=O)COc1ccc(OC/C=C(\c2ccc(C#CCn3cccn3)cc2)c2ccc(SC)cc2)cc1C- InChIKey
DJMRFHJZNHKFIO-OCSSWDANSA-N- Molecular formula
- C32H30N2O4S
- Average molar mass
- 538.7 g/mol
Names & identifiers
- Preferred name
- methyl (E)-[2-methyl-4-[3-(4-methylsulfanylphenyl)-3-[4-[3-(pyrazol-1-yl)propynyl]phenyl]allyloxy]-phenoxy]acetate
- IUPAC
- methyl 2-[2-methyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-[4-(3-pyrazol-1-ylprop-1-ynyl)phenyl]prop-2-enoxy]phenoxy]acetate
Names & synonyms
DJMRFHJZNHKFIO-OCSSWDANSA-Nmethyl (E)-[2-methyl-4-[3-(4-methylsulfanyl phenyl)-3-[4-[3-(pyrazol-1-yl)propynyl]phenyl]allyloxy]-phenoxy]acetatemethyl (E)-[2-methyl-4-[3-(4-methylsulfanylphenyl)-3-[4-[3-(pyrazol-1-yl)propynyl]phenyl]allyloxy]-phenoxy]acetate
Database identifiers
- PubChem CID
- 86629313
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 851
Related reactions
3 records
Compound notes
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