Basic information
- CAS
444907-81-7- Standard SMILES
O=C(c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1- InChIKey
ODKMTSIGFIDUGN-UHFFFAOYSA-N- Molecular formula
- C39H42N6O3
- Average molar mass
- 642.8 g/mol
- Monoisotopic mass
- 642.33183922
Names & identifiers
- Preferred name
- [3,5-Bis(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
- IUPAC
- [3,5-bis(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
- English name
- 1-{3,5-bis[(4-phenyl-1-piperazinyl)carbonyl]benzoyl}-4-phenylpiperazine
- Molecular formula
- C39H42N6O3
- Molecular weight
- 642.78918
Names & synonyms
benzene-1,3,5-triyltris[(4-phenylpiperazin-1-yl)methanone]STK423475AKOS003282672[3,5-bis(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanoneST509376343,5-bis[(4-phenylpiperazinyl)carbonyl]phenyl 4-phenylpiperazinyl ketone1-{3,5-bis[(4-phenyl-1-piperazinyl)carbonyl]benzoyl}-4-phenylpiperazine
Database identifiers
- CAS
444907-81-7- PubChem CID
- 3499308
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 916
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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