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Basic information
- Standard SMILES
Cc1c(S(=O)(=O)Nc2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)sc2ccc(Cl)cc12- InChIKey
LOUQAZJKOGRYJZ-UHFFFAOYSA-N- Molecular formula
- C23H25ClN2O4S2
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.0944273
Names & identifiers
- Preferred name
- Tert-butyl 3-(3-(5-chloro-3-methylbenzo[b]thiophene-2-sulfonamido)phenyl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-[3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]azetidine-1-carboxylate
Names & synonyms
SCHEMBL4193706LOUQAZJKOGRYJZ-UHFFFAOYSA-Ntert-butyl 3-(3-(5-chloro-3-methylbenzo[b]thiophene-2-sulfonamido)phenyl)azetidine-1-carboxylate
Database identifiers
- PubChem CID
- 68950293
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 791
Related reactions
2 records
Compound notes
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