4-(4-Morpholinyl)-3-nitro-N-[4-(phenylmethyl)-1-piperazinyl]benzamide
Basic information
- CAS
748121-46-2- Standard SMILES
O=C(NN1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1- InChIKey
YEWRLZVIBBLJEO-UHFFFAOYSA-N- Molecular formula
- C22H27N5O4
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.20630436
Names & identifiers
- Preferred name
- 4-(4-Morpholinyl)-3-nitro-N-[4-(phenylmethyl)-1-piperazinyl]benzamide
- IUPAC
- N-(4-benzylpiperazin-1-yl)-4-morpholin-4-yl-3-nitrobenzamide
Names & synonyms
Oprea1_832350CHEMBL1622359DTXSID1011571484-(4-Morpholinyl)-3-nitro-N-[4-(phenylmethyl)-1-piperazinyl]benzamide748121-46-2N-(4-Benzylpiperazin-1-yl)-4-(morpholin-4-yl)-3-nitrobenzamide
Database identifiers
- CAS
748121-46-2- PubChem CID
- 4158962
- DTXSID
DTXSID101157148- ChEMBL
CHEMBL1622359
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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