Basic information
- Standard SMILES
CCN(CC)CCSCC(Cc1ccccc1)C(=O)OCc1ccccc1- InChIKey
IMNXUFJCJSJMMI-UHFFFAOYSA-N- Molecular formula
- C23H31NO2S
- Average molar mass
- 385.6 g/mol
Names & identifiers
- Preferred name
- Phenylmethyl alpha-[[[2-(diethylamino)ethyl]thio]methyl]benzenepropanoate
- IUPAC
- benzyl 2-benzyl-3-[2-(diethylamino)ethylsulfanyl]propanoate
Names & synonyms
SCHEMBL7357597IMNXUFJCJSJMMI-UHFFFAOYSA-Nphenylmethyl alpha-[[[2-(diethylamino) ethyl]thio]methyl]benzenepropanoatephenylmethyl alpha-[[[2-(diethylamino)ethyl]thio]methyl]benzenepropanoate
Database identifiers
- PubChem CID
- 19937709
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 388
Related reactions
2 records
Compound notes
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