3-[2-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
Basic information
- CAS
852704-11-1- Standard SMILES
CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)C2=O- InChIKey
MNFMCOARTINDBM-UHFFFAOYSA-N- Molecular formula
- C23H31FN4O5S
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.19991944
Names & identifiers
- Preferred name
- 3-[2-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
- IUPAC
- 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
Names & synonyms
MLS002163965CHEMBL2132408DTXSID201332523HMS3084B21AKOS0341415383-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione852704-11-1SMR001246345Z307222023-{2-[4-(3-Fluorobenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
Database identifiers
- CAS
852704-11-1- PubChem CID
- 4843577
- DTXSID
DTXSID201332523- ChEMBL
CHEMBL2132408
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 943
Experimental & physicochemical properties
Solubility4.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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