Basic information
- Standard SMILES
COc1ccc(-c2ccc3nc(N4CCN(C5CC5)CC4)sc3c2)cc1OC- InChIKey
CWYUVXNGMVFFGA-UHFFFAOYSA-N- Molecular formula
- C22H25N3O2S
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.16674822
Names & identifiers
- Preferred name
- 2-(4-Cyclopropylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)benzothiazole
- IUPAC
- 2-(4-cyclopropylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)-1,3-benzothiazole
Names & synonyms
SCHEMBL3468611CWYUVXNGMVFFGA-UHFFFAOYSA-N2-(4-cyclopropylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)benzothiazole
Database identifiers
- PubChem CID
- 23728859
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
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