1-[(1,3-Benzothiazol-2-ylsulfanyl)acetyl]-2,2,4-trimethyl-6-trityl-1,2-dihydroquinoline
Basic information
- CAS
298204-18-9- Standard SMILES
CC1=CC(C)(C)N(C(=O)CSc2nc3ccccc3s2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21- InChIKey
LARMDQMPUIACDI-UHFFFAOYSA-N- Molecular formula
- C40H34N2OS2
- Average molar mass
- 622.8 g/mol
- Monoisotopic mass
- 622.21125606
Names & identifiers
- Preferred name
- 1-[(1,3-Benzothiazol-2-ylsulfanyl)acetyl]-2,2,4-trimethyl-6-trityl-1,2-dihydroquinoline
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-6-tritylquinolin-1-yl)ethanone
- English name
- 1-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,4-trimethyl-6-trityl-1,2-dihydroquinoline
- Molecular formula
- C40H34N2OS2
- Molecular weight
- 622.84076
Names & synonyms
1-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,4-trimethyl-6-trityl-1,2-dihydroquinoline2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-6-tritylquinolin-1-yl)ethanoneAG-690/12887243
Database identifiers
- CAS
298204-18-9- PubChem CID
- 3119218
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 993
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Compound notes
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