Basic information
- Standard SMILES
CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccsc3)CC2)cc1- InChIKey
KDXQDSHCSIRJQE-UHFFFAOYSA-N- Molecular formula
- C30H34N4OS
- Average molar mass
- 498.7 g/mol
- Monoisotopic mass
- 498.24533289
Names & identifiers
- Preferred name
- N,N-diethyl-4-[[4-(3-thienylmethyl)-1-piperazinyl](8-quinolinyl)methyl]benzamide
- IUPAC
- N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide
Names & synonyms
SCHEMBL4680591KDXQDSHCSIRJQE-UHFFFAOYSA-NN,N-diethyl-4-[[4-(3-thienylmethyl)-1-piperazinyl](8-quinolinyl)methyl]benzamide
Database identifiers
- PubChem CID
- 9870536
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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