Basic information
- Standard SMILES
O=C(CNc1ccc2[nH]c(=O)sc2c1)N1CCC(Cc2ccccc2)CC1- InChIKey
UIXCBYMEGOLEQP-UHFFFAOYSA-N- Molecular formula
- C21H23N3O2S
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.15109816
Names & identifiers
- Preferred name
- 1-(4-Benzyl-piperidin-1-yl)-2-(2-oxo-2,3-dihydro-benzothiazol-6-yl-amino)-ethanone
- IUPAC
- 6-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3H-1,3-benzothiazol-2-one
Names & synonyms
SCHEMBL4578882UIXCBYMEGOLEQP-UHFFFAOYSA-N1-(4-Benzyl-piperidin-1-yl)-2-(2-oxo-2,3-dihydro-benzothiazol-6-yl-amino)-ethanone
Database identifiers
- PubChem CID
- 69100897
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
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