tert-Butyl(1-(4-(8-methoxy-4-oxo-4,5-dihydrothieno[2,3-c]quinolin-9-yl)phenyl)cyclobutyl)methylcarbamate
Basic information
- Standard SMILES
COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CNC(=O)OC(C)(C)C)CCC2)cc1- InChIKey
AVLGIWYIAXSTET-UHFFFAOYSA-N- Molecular formula
- C28H30N2O4S
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.19262862
Names & identifiers
- Preferred name
- tert-Butyl(1-(4-(8-methoxy-4-oxo-4,5-dihydrothieno[2,3-c]quinolin-9-yl)phenyl)cyclobutyl)methylcarbamate
- IUPAC
- tert-butyl N-[[1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclobutyl]methyl]carbamate
Names & synonyms
SCHEMBL15100198AVLGIWYIAXSTET-UHFFFAOYSA-Ntert-Butyl(1-(4-(8-methoxy-4-oxo-4,5-dihydrothieno[2,3-c]quinolin-9-yl)phenyl)cyclobutyl)methylcarbamate
Database identifiers
- PubChem CID
- 89682149
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 786
Related reactions
1 records
Compound notes
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