Basic information
- Standard SMILES
CCN(CC)CCNCCSc1ccccc1.O=C(O)/C=C\C(=O)O- InChIKey
VAHIXQAVGAJISO-BTJKTKAUSA-N- Molecular formula
- C18H28N2O4S
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- N,N-Diethyl-N'-[2-(phenylthio)ethyl]-1,2-ethanediamine maleate
- IUPAC
- (Z)-but-2-enedioic acid;N',N'-diethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine
Names & synonyms
SCHEMBL10409509VAHIXQAVGAJISO-BTJKTKAUSA-NN,N-Diethyl-N'-[2-(phenylthio)ethyl]-1,2-ethanediamine maleate
Database identifiers
- PubChem CID
- 70360583
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 285
Related reactions
1 records
Compound notes
Loading…