Basic information
- CAS
59851-15-9- Standard SMILES
COC(=O)Nc1csc2c1NC(=O)CCCC2- InChIKey
NOOJZWMVYKXTHJ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.07251349
Names & identifiers
- Preferred name
- methyl N-(5-oxo-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamate
- IUPAC
- methyl N-(5-oxo-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamate
Names & synonyms
MLS00075711159851-15-9SMR000528880NSC285669methyl N-(5-oxo-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamatecid_323637CHEMBL1710639BDBM87455DTXSID40314557HMS2886E17NSC-285669Methyl (5-oxo-4,5,6,7,8,9-hexahydrothieno[3,2-b]azocin-3-yl)carbamate
Show more names
methyl N-(5-oxidanylidene-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamateN-(5-keto-6,7,8,9-tetrahydro-4H-thien[3,2-b]azocin-3-yl)carbamic acid methyl esterN-(5-oxo-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamic acid methyl ester
Database identifiers
- CAS
59851-15-9- PubChem CID
- 323637
- DTXSID
DTXSID40314557- ChEMBL
CHEMBL1710639
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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