Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cccc(CN(C(=O)C=CSc2ccccc2)C(C)(C)C)c1- InChIKey
QWWPYRCDGPXHHY-UHFFFAOYSA-N- Molecular formula
- C21H25NO2S
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.16060021
Names & identifiers
- Preferred name
- N-tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide
- IUPAC
- N-tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide
Names & synonyms
NCI60_037632
Database identifiers
- PubChem CID
- 397477
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…