Basic information
- Standard SMILES
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)OC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21- InChIKey
ILGQORAGKSQJFO-ICSRJNTNSA-N- Molecular formula
- C26H26ClN3O6S2
- Average molar mass
- 576.1 g/mol
Names & identifiers
- Preferred name
- 5-chloro-N-(((3S,3aS)-1-oxo-7-(2-t-butylaminosulfonylphenyl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)thiophene-2-carboxamide
- IUPAC
- N-[[(3S,3aS)-7-[2-(tert-butylsulfamoyl)phenyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl]-5-chlorothiophene-2-carboxamide
Names & synonyms
SCHEMBL17267451ILGQORAGKSQJFO-ICSRJNTNSA-N5-chloro-N-(((3S,3aS)-1-oxo-7-(2-t-butylaminosulfonylphenyl)-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl)methyl)thiophene-2-carboxamide
Database identifiers
- PubChem CID
- 118519601
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
2 records
Compound notes
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