Basic information
- CAS
444907-54-4- Standard SMILES
Cc1ccc(C)c(N2CCN(C(=O)c3cc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)cc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)c3)CC2)c1- InChIKey
XJFSQWZZNVNFPK-UHFFFAOYSA-N- Molecular formula
- C45H54N6O3
- Average molar mass
- 726.9 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-Bis{[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl}benzoyl)-4-(2,5-dimethylphenyl)piperazine
- IUPAC
- [3,5-bis[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
- English name
- 1-(3,5-bis{[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl}benzoyl)-4-(2,5-dimethylphenyl)piperazine
- Molecular formula
- C45H54N6O3
- Molecular weight
- 726.94866
Names & synonyms
1-(3,5-bis{[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl}benzoyl)-4-(2,5-dimethylphenyl)piperazineAK-968/15362229CHEMBL5027253STK423480AKOS003282645[3,5-bis[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanoneST50937542benzene-1,3,5-triyltris{[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone}3,5-bis{[4-(2,5-dimethylphenyl)piperazinyl]carbonyl}phenyl 4-(2,5-dimethylphen yl)piperazinyl ketone
Database identifiers
- CAS
444907-54-4- ChEMBL
CHEMBL5027253
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,110
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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