6-Chloro-2,3-dihydro-2-[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]-2-methylbenzothiazole
Basic information
- CAS
212779-22-1- Standard SMILES
COc1c(C)cnc(CCC2(C)Nc3ccc(Cl)cc3S2)c1C- InChIKey
DCPJNHTVVDUEQI-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2OS
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1063122
Names & identifiers
- Preferred name
- 6-Chloro-2,3-dihydro-2-[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]-2-methylbenzothiazole
- IUPAC
- 6-chloro-2-[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]-2-methyl-3H-1,3-benzothiazole
Names & synonyms
CHEMBL299059DTXSID5011216946-Chloro-2,3-dihydro-2-[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]-2-methylbenzothiazole212779-22-16-Chloro-2-[2-(4-methoxy-3,5-dimethylpyridin-2-yl)ethyl]-2-methyl-2,3-dihydro-1,3-benzothiazole
Database identifiers
- CAS
212779-22-1- PubChem CID
- 44299575
- DTXSID
DTXSID501121694- ChEMBL
CHEMBL299059
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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