Basic information
- Standard SMILES
O=C(Nc1nc2ccc(OS(=O)(=O)c3ccc(NCCCn4ccnc4)cc3)cc2s1)C1CC1- InChIKey
LVMZTTSDDDLNCG-UHFFFAOYSA-N- Molecular formula
- C23H23N5O4S2
- Average molar mass
- 497.6 g/mol
- Monoisotopic mass
- 497.11914658
Names & identifiers
- Preferred name
- 4-(3-Imidazol-1-ylpropylamino)benzenesulfonic 2-(cyclopropanecarbonylamino)benzothiazol-6-yl ester
- IUPAC
- [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-(3-imidazol-1-ylpropylamino)benzenesulfonate
Names & synonyms
SCHEMBL4404033LVMZTTSDDDLNCG-UHFFFAOYSA-N4-(3-imidazol-1-ylpropylamino)benzenesulfonic 2-(cyclopropanecarbonylamino)benzothiazol-6-yl ester
Database identifiers
- PubChem CID
- 11627409
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 798
Related reactions
2 records
Compound notes
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