Basic information
- Standard SMILES
Cn1cc(-c2cc(Oc3ccc4nc(NC5CCCN(S(=O)(=O)C6CC6)C5)sc4c3)ccn2)cn1- InChIKey
NWCLPIYUQJWGIS-UHFFFAOYSA-N- Molecular formula
- C24H26N6O3S2
- Average molar mass
- 510.6 g/mol
Names & identifiers
- Preferred name
- N-(1-cyclopropylsulfonylpiperidin-3-yl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
- IUPAC
- N-(1-cyclopropylsulfonylpiperidin-3-yl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
Names & synonyms
SCHEMBL2676087
Database identifiers
- PubChem CID
- 87421237
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 840
Related reactions
1 records
Compound notes
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