Basic information
- Standard SMILES
Clc1ccccc1N1CCN(CCCN=C=Nc2ccc3c(c2)OCCO3)CC1- InChIKey
UKCFNGUDUFGHIV-UHFFFAOYSA-N- Molecular formula
- C22H25ClN4O2
- Average molar mass
- 412.9 g/mol
Names & identifiers
- Preferred name
- N-3-[4-(2-chlorophenyl)piperazin-1-yl]propyl-N'-(3,4-ethylenedioxyphenyl)carbodiimide
- IUPAC
- N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)methanediimine
Names & synonyms
SCHEMBL9559921UKCFNGUDUFGHIV-UHFFFAOYSA-NN-3-[4-(2-chlorophenyl)piperazin-1-yl]propyl-N'-(3,4-ethylenedioxyphenyl)carbodiimide
Database identifiers
- PubChem CID
- 19794375
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
2 records
Compound notes
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