Basic information
- CAS
309283-40-7- Standard SMILES
COc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2N(Cc2ccccc2)C3(C)C)cc1OC- InChIKey
RPPCLNIJKPFUKD-UHFFFAOYSA-N- Molecular formula
- C28H28N2O2S2
- Average molar mass
- 488.7 g/mol
Names & identifiers
- Preferred name
- 5-benzyl-2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione
- IUPAC
- 5-benzyl-2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-[1,2]thiazolo[5,4-c]quinoline-1-thione
- English name
- 5-benzyl-2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione
- Molecular formula
- C28H28N2O2S2
- Molecular weight
- 488.66
Names & synonyms
5-benzyl-2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione309283-40-75-benzyl-2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-[1,2]thiazolo[5,4-c]quinoline-1-thioneOprea1_830144STK789628AKOS001726945AG-205/12755099SR-01000526285SR-01000526285-15-BENZYL-2-(3,4-DIMETHOXYPHENYL)-4,4,8-TRIMETHYL-1H,2H,4H,5H-[1,2]THIAZOLO[5,4-C]QUINOLINE-1-THIONE5-benzyl-2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thioneIsothiazolo[5,4-c]quinoline-1(2H)-thione, 2-(3,4-dimethoxyphenyl)-4,5-dihydro-4,4,8-trimethyl-5-(phenylmethyl)-
Database identifiers
- CAS
309283-40-7
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 793
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…