Methyl 3-((2,6-diethylanilino)carbonyl)-8-ethyl-5-methyl-1-indolizinecarboxylate
Basic information
- CAS
515178-97-9- Standard SMILES
CCc1cccc(CC)c1NC(=O)c1cc(C(=O)OC)c2c(CC)ccc(C)n12- InChIKey
FADQFWZHQZHGOI-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.20999276
Names & identifiers
- Preferred name
- Methyl 3-((2,6-diethylanilino)carbonyl)-8-ethyl-5-methyl-1-indolizinecarboxylate
- IUPAC
- methyl 3-[(2,6-diethylphenyl)carbamoyl]-8-ethyl-5-methylindolizine-1-carboxylate
- English name
- 1-Indolizinecarboxylic acid, 3-[[(2,6-diethylphenyl)amino]carbonyl]-8-ethyl-5-methyl-, methyl ester
- Molecular formula
- C24H28N2O3
- Molecular weight
- 392.49
Names & synonyms
AKOS024327267METHYL 3-((2,6-DIETHYLANILINO)CARBONYL)-8-ETHYL-5-METHYL-1-INDOLIZINECARBOXYLATE1-Indolizinecarboxylic acid, 3-[[(2,6-diethylphenyl)amino]carbonyl]-8-ethyl-5-methyl-, methyl ester
Database identifiers
- CAS
515178-97-9- PubChem CID
- 4621702
- EC Number
- 138-412-9
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 568
Physicochemical properties
- Density
- 1.13 · 1.13±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- pka
- 13.58 · 13.58±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…