Basic information
- Standard SMILES
CCOC(=O)c1ccc(NC(=O)NCCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1.Cl- InChIKey
YGZNDAYERLUZAE-UHFFFAOYSA-N- Molecular formula
- C24H32Cl2N4O3
- Average molar mass
- 495.4 g/mol
- Monoisotopic mass
- 494.1851463
Names & identifiers
- Preferred name
- 1-{3-[4-(4-Chlorobenzyl)piperazin-1-yl]propyl}-3-(4-ethoxycarbonylphenyl)urea hydrochloride
- IUPAC
- ethyl 4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propylcarbamoylamino]benzoate;hydrochloride
Names & synonyms
SCHEMBL10641998YGZNDAYERLUZAE-UHFFFAOYSA-N1-{3-[4-(4-chlorobenzyl)piperazin-1-yl]-propyl}-3-(4-ethoxycarbonylphenyl)urea hydrochloride1-{3-[4-(4-Chlorobenzyl)piperazin-1-yl]propyl}-3-(4-ethoxycarbonylphenyl)urea hydrochloride
Database identifiers
- PubChem CID
- 20205746
Properties
Computed structural properties
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 570
Related reactions
4 records
Compound notes
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