Basic information
- Standard SMILES
CCOC(=S)C(=CC=C(c1ccccc1)N(C)C)CCc1ccccc1- InChIKey
NABIEUDJTRZGMY-UHFFFAOYSA-N- Molecular formula
- C23H27NOS
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.18133566
Names & identifiers
- Preferred name
- Ethyl 5-dimethylamino-5-phenyl-2-phenethylthio-2,4-pentadienoate
- IUPAC
- O-ethyl 5-(dimethylamino)-5-phenyl-2-(2-phenylethyl)penta-2,4-dienethioate
Names & synonyms
SCHEMBL10420182NABIEUDJTRZGMY-UHFFFAOYSA-Nethyl 5-dimethylamino-5-phenyl-2-phenethylthio-2,4-pentadienoate
Database identifiers
- PubChem CID
- 86743602
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
2 records
Compound notes
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