Basic information
- CAS
784198-25-0- Standard SMILES
O=C(c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N1CCN(c2ccccc2)CC1- InChIKey
YDNDNNUGKDXJTI-UHFFFAOYSA-N- Molecular formula
- C26H27N3O3S
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 461.17731291
Names & identifiers
- Preferred name
- [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
- IUPAC
- [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
Names & synonyms
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanoneMLS002248916CHEMBL1728926DTXSID801329502HMS3084O04AKOS001044869784198-25-0SMR001316372Z27770149[3-(3,4-Dihydroquinoline-1(2H)-sulfonyl)phenyl](4-phenylpiperazin-1-yl)methanone
Database identifiers
- CAS
784198-25-0- PubChem CID
- 2089028
- DTXSID
DTXSID801329502- ChEMBL
CHEMBL1728926
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 768
Experimental & physicochemical properties
Solubility3.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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