[1-(4-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]urea
Basic information
- CAS
851620-94-5- Standard SMILES
NC(=O)NC(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1- InChIKey
PEKYEIRLWDWFNZ-UHFFFAOYSA-N- Molecular formula
- C19H20ClN3O2
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 357.1244046
Names & identifiers
- Preferred name
- [1-(4-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]urea
- IUPAC
- [1-(4-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]urea
Names & synonyms
[1-(4-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]ureaMLS001172213CHEMBL1534820DTXSID901324036HMS1727J08HMS2902L16AKOS034024803851620-94-5SMR000592345SR-01000063913SR-01000063913-1Z27715840
Show more names
N-[1-(4-Chlorophenyl)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]urea
Database identifiers
- CAS
851620-94-5- PubChem CID
- 4883049
- DTXSID
DTXSID901324036- ChEMBL
CHEMBL1534820
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
Solubility49.9 [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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