2,3-Piperazinedione, 1-((4-((5-chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-
Basic information
- CAS
77917-54-5- Standard SMILES
O=C1C(=O)N(Cc2ccc(Nc3ccc(Cl)cn3)cc2)CCN1Cc1ccccc1- InChIKey
SJRDRQYLNQXQJR-UHFFFAOYSA-N- Molecular formula
- C23H21ClN4O2
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.1353036
Names & identifiers
- Preferred name
- 2,3-Piperazinedione, 1-((4-((5-chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-
- IUPAC
- 1-benzyl-4-[[4-[(5-chloro-2-pyridinyl)amino]phenyl]methyl]piperazine-2,3-dione
Names & synonyms
BRN 56486752,3-Piperazinedione, 1-((4-((5-chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-77917-54-5DTXSID602285661-((4-((5-Chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-2,3-piperazinedioneRefChem:245186DTXCID101510571-Benzyl-4-({4-[(5-chloropyridin-2-yl)amino]phenyl}methyl)piperazine-2,3-dione
Database identifiers
- CAS
77917-54-5- PubChem CID
- 3060269
- DTXSID
DTXSID60228566
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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