Basic information
- Standard SMILES
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
ZBQIOQIGANFSPB-UHFFFAOYSA-N- Molecular formula
- C21H23ClN4O4
- Average molar mass
- 430.9 g/mol
Names & identifiers
- Preferred name
- (4-(4-Chlorophenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
- IUPAC
- [4-(4-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
Names & synonyms
CHEMBL497974SCHEMBL3930734ZBQIOQIGANFSPB-UHFFFAOYSA-NBDBM50264900AKOS007285759(4-(4-chlorophenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone[4-(4-Chloro-phenyl)-piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)-methanone
Database identifiers
- PubChem CID
- 44580261
- ChEMBL
CHEMBL497974
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Related reactions
3 records
Compound notes
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