Basic information
- CAS
956437-98-2- Standard SMILES
CC1(c2ccccc2Br)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O- InChIKey
RUCDLLPAFORGMI-UHFFFAOYSA-N- Molecular formula
- C21H20BrN3O3
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.0688
Names & identifiers
- Preferred name
- 5-(2-bromophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
- IUPAC
- 5-(2-bromophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
Names & synonyms
5-(2-bromophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dioneMLS002249743CHEMBL1893365DTXSID601320328HMS3046M20AKOS033322873956437-98-2SMR001317169SR-01000051508SR-01000051508-1Z141588365-(2-Bromophenyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
Database identifiers
- CAS
956437-98-2- PubChem CID
- 5114903
- DTXSID
DTXSID601320328- ChEMBL
CHEMBL1893365
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 657
Experimental & physicochemical properties
Solubility8.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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