Basic information
- Standard SMILES
NS(=O)(=O)N1CC2CN(Cc3ccc(Oc4nc5ccccc5s4)cc3)CC2C1- InChIKey
CIFQQGDMVREJRB-UHFFFAOYSA-N- Molecular formula
- C20H22N4O3S2
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.11333292
Names & identifiers
- Preferred name
- 5-[4-(Benzothiazol-2-yloxy)-benzyl]-hexahydro-pyrrolo[3,4-c]pyrrole-2-sulfonic acid amide
- IUPAC
- 2-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
Names & synonyms
SCHEMBL1905637CIFQQGDMVREJRB-UHFFFAOYSA-N5-[4-(Benzothiazol-2-yloxy)-benzyl]-hexahydro-pyrrolo[3,4-c]pyrrole-2-sulfonic acid amide
Database identifiers
- PubChem CID
- 42600566
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 666
Related reactions
3 records
Compound notes
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