Basic information
- Standard SMILES
COc1ccc(C2CCCCO2)c2sc(NC(=O)c3ccnc(C)c3)nc12- InChIKey
ZVSUXJMUWJBKSO-UHFFFAOYSA-N- Molecular formula
- C20H21N3O3S
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- N-[4-Methoxy-7-(tetrahydro-pyran-2-yl)-benzothiazol-2-yl]-2-methyl-isonicotinamide
- IUPAC
- N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]-2-methylpyridine-4-carboxamide
Names & synonyms
SCHEMBL6178455ZVSUXJMUWJBKSO-UHFFFAOYSA-NN-[4-Methoxy-7-(tetrahydro-pyran-2-yl)-benzothiazol-2-yl]-2-methyl-isonicotinamide
Database identifiers
- PubChem CID
- 10126465
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 523
Related reactions
2 records
Compound notes
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