4-(1,3-Benzothiazol-2-yl)-1-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone
Basic information
- Standard SMILES
CCc1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O- InChIKey
OLBXECVLIXZXID-UHFFFAOYSA-N- Molecular formula
- C23H20N2O4S
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.1143783
Names & identifiers
- Preferred name
- 4-(1,3-Benzothiazol-2-yl)-1-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone
- IUPAC
- 4-(1,3-benzothiazol-2-yl)-1-(2-ethyl-6-propan-2-ylphenyl)piperidine-2,3,5,6-tetrone
Names & synonyms
NSC6351314-(1,3-Benzothiazol-2-yl)-1-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetroneCHEMBL1975682NSC-635131NCI60_0116774-(1,3-benzothiazol-2-yl)-1-(2-ethyl-6-isopropyl-phenyl)piperidine-2,3,5,6-tetrone
Database identifiers
- PubChem CID
- 366522
- ChEMBL
CHEMBL1975682
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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