Basic information
- CAS
315676-96-1- Standard SMILES
CCOC(=O)c1c(Nc2ccccc2)sc(C(=O)c2cccc3ccccc23)c1C- InChIKey
QIHUOMVSXBOSCT-UHFFFAOYSA-N- Molecular formula
- C25H21NO3S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.12421471
Names & identifiers
- Preferred name
- Ethyl 2-anilino-4-methyl-5-(1-naphthoyl)-3-thiophenecarboxylate
- IUPAC
- ethyl 2-anilino-4-methyl-5-(naphthalene-1-carbonyl)thiophene-3-carboxylate
- English name
- ethyl 2-anilino-4-methyl-5-(1-naphthoyl)-3-thiophenecarboxylate
- Molecular formula
- C25H21NO3S
- Molecular weight
- 415.5
Names & synonyms
ethyl 2-anilino-4-methyl-5-(1-naphthoyl)-3-thiophenecarboxylateOprea1_621340AKOS001028060ethyl 2-anilino-4-methyl-5-(naphthalene-1-carbonyl)thiophene-3-carboxylateAF-399/15128272Z567993343-Thiophenecarboxylic acid, 4-methyl-5-(1-naphthalenylcarbonyl)-2-(phenylamino)-, ethyl ester
Database identifiers
- CAS
315676-96-1- PubChem CID
- 1742338
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Boiling point
- 583.7 · 583.7±50.0 °C(Predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- pka
- 0.93 · 0.93±0.38(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…