Basic information
- Standard SMILES
SCCCN1CCCN(Cc2ccc(Cl)cc2)CC1- InChIKey
MAKDIBPKKMUEET-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2S
- Average molar mass
- 298.9 g/mol
Names & identifiers
- Preferred name
- 3-[4-(4-Chlorobenzyl)homopiperazin-1-yl]-propanethiol
- IUPAC
- 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propane-1-thiol
Names & synonyms
SCHEMBL10659831MAKDIBPKKMUEET-UHFFFAOYSA-N3-[4-(4-chlorobenzyl)homopiperazin-1-yl]propanethiol3-[4-(4-chlorobenzyl)homopiperazin-1-yl]-propanethiol
Database identifiers
- PubChem CID
- 20153174
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 7.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 244
Related reactions
6 records
Compound notes
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