Basic information
- Standard SMILES
Cc1nc(-c2cccc(CN3C(=O)CCCC3c3cccc4c3OCCO4)c2)cs1- InChIKey
CCTLUOQMQMZQPD-UHFFFAOYSA-N- Molecular formula
- C24H24N2O3S
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- 6-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
- IUPAC
- 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
Names & synonyms
SCHEMBL4532002CHEMBL3915484CCTLUOQMQMZQPD-UHFFFAOYSA-NBDBM203093US9242970, 2726-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
Database identifiers
- PubChem CID
- 69080983
- ChEMBL
CHEMBL3915484
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
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