5-Isobenzofurancarboxylic acid, 1-(4-(diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, hexadecyl ester
Basic information
- CAS
69898-62-0- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c1ccc(N(CC)CC)cc1OCC)c1c(C)n(CC)c2ccccc12- InChIKey
FUFPPSDQHUWJRG-UHFFFAOYSA-N- Molecular formula
- C48H66N2O5
- Average molar mass
- 751 g/mol
- Monoisotopic mass
- 750.49717321
Names & identifiers
- Preferred name
- 5-Isobenzofurancarboxylic acid, 1-(4-(diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, hexadecyl ester
- IUPAC
- hexadecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-3-oxo-2-benzofuran-5-carboxylate
- English name
- hexadecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate
- Molecular formula
- C48H66N2O5
- Molecular weight
- 751.05
Names & synonyms
EINECS 274-204-55-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, hexadecyl esterDTXSID708875223-(2-Ethoxy-4-(diethylamino)phenyl)-3-(1-ethyl-2-methylindol-3-yl)-1,3-dihydro-1-oxo-6-isobenzofurancarboxylic acid, hexadecyl ester5-Isobenzofurancarboxylic acid, 1-(4-(diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, hexadecyl esterRefChem:536438DTXCID80102681369898-62-0Hexadecyl 1-(4-(diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylateFUFPPSDQHUWJRG-UHFFFAOYSA-Nhexadecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylateNS00062071
Show more names
hexadecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate
Properties
Computed structural properties
- XLogP
- 14.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 25
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- EPA Substance Registry System
- 5 · 5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, hexadecyl ester (69898-62-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, hexadecyl ester: INACTIVE
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Compound notes
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