Basic information
- CAS
331269-79-5- Standard SMILES
CCCCCCCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1- InChIKey
LOONRJXDQMZEGK-UHFFFAOYSA-N- Molecular formula
- C29H36BrNO6
- Average molar mass
- 574.5 g/mol
- Monoisotopic mass
- 573.1726
Names & identifiers
- Preferred name
- Decyl 4-({4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
- IUPAC
- decyl 4-[[4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
- English name
- decyl 4-({4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
- Molecular formula
- C29H36BrNO6
- Molecular weight
- 574.50324
Names & synonyms
decyl 4-({4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoatedecyl 4-[[4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoateSTK267825AKOS003237244ST50859985AG-690/096960642-(4-bromophenyl)-2-oxoethyl 3-{N-[4-(decyloxycarbonyl)phenyl]carbamoyl}propan oate
Database identifiers
- CAS
331269-79-5- PubChem CID
- 3102678
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 699
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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