Basic information
- Standard SMILES
CCOC(=O)C(=CC=C(C(=S)OCC)N(C)C)c1ccccc1- InChIKey
LGFXXWMXKUQLNQ-UHFFFAOYSA-N- Molecular formula
- C18H23NO3S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.13986477
Names & identifiers
- Preferred name
- Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate
- IUPAC
- ethyl 5-(dimethylamino)-6-ethoxy-2-phenyl-6-sulfanylidenehexa-2,4-dienoate
Names & synonyms
SCHEMBL10418167LGFXXWMXKUQLNQ-UHFFFAOYSA-Ndiethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate
Database identifiers
- PubChem CID
- 86743580
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
62 records
Linked notes
Loading…