Stk099544
Basic information
- CAS
6015-45-8- Standard SMILES
CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1Br- InChIKey
PEPUCIQUGHFADP-UHFFFAOYSA-N- Molecular formula
- C19H19BrClN3O4
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 467.02475
Names & identifiers
- Preferred name
- Stk099544
- IUPAC
- (3-bromo-4-ethoxyphenyl)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methanone
Names & synonyms
STK0995446015-45-8DTXSID30387093RefChem:382108DTXCID20338115ZINC9730836(3-bromo-4-ethoxyphenyl)[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methanoneCambridge id 6015458Oprea1_204654MFCD02811412ZINC09730836(3-bromo-4-ethoxyphenyl)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methanone
Show more names
AKOS001636929ZINC000009730836EU-0008477AB00101949-01SR-01000464967SR-01000464967-1CCOc1ccc(cc1Br)C(=O)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)1-(3-bromo-4-ethoxybenzoyl)-4-(2-chloro-4-nitrophenyl)piperazine
Database identifiers
- CAS
6015-45-8- PubChem CID
- 2880673
- DTXSID
DTXSID30387093
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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