Basic information
- Standard SMILES
O=C1CCc2ccccc2N1C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1- InChIKey
BFVPQLJIXJSJAZ-UHFFFAOYSA-N- Molecular formula
- C25H29N3O4S
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.18787759
Names & identifiers
- Preferred name
- 1,1-dioxido-2-(4-(4-(3,4-dihydro-2-oxo-(1H)-quinolin-1-yl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one
- IUPAC
- 1,1-dioxo-2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]butyl]-1,2-benzothiazol-3-one
Names & synonyms
SCHEMBL8667544BFVPQLJIXJSJAZ-UHFFFAOYSA-N1,1-dioxido-2-(4-(4-(3,4-dihydro-2-oxo-(1H)-quinolin-1-yl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one
Database identifiers
- PubChem CID
- 19085828
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 833
Related reactions
2 records
Compound notes
Loading…