Basic information
- Standard SMILES
C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC(=O)c3ccccc3)c2)CC1C- InChIKey
BNPXNSHZUAEPII-UHFFFAOYSA-N- Molecular formula
- C34H41N3O3
- Average molar mass
- 539.7 g/mol
Names & identifiers
- Preferred name
- [3-[[4-(Diethylcarbamoyl)phenyl]-(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)methyl]phenyl] benzoate
- IUPAC
- [3-[[4-(diethylcarbamoyl)phenyl]-(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)methyl]phenyl] benzoate
Names & synonyms
SCHEMBL9188900
Database identifiers
- PubChem CID
- 67790645
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 815
Related reactions
1 records
Compound notes
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