6-Propyl-2-(2-(2-(2-(2-(1-((6-propylinden-2-yl)methyl)vinyl)phenyl)ethyl)phenyl)prop-2-enyl)indene
Basic information
- CAS
98064-13-2- Standard SMILES
CCOc1ccc2nc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3nc4ccc(OCC)cc4s3)sc2c1- InChIKey
VXSRZYPNFZZCEY-UHFFFAOYSA-N- Molecular formula
- C32H26N4O4S4
- Average molar mass
- 658.8 g/mol
- Monoisotopic mass
- 658.08369002
Names & identifiers
- Preferred name
- 6-Propyl-2-(2-(2-(2-(2-(1-((6-propylinden-2-yl)methyl)vinyl)phenyl)ethyl)phenyl)prop-2-enyl)indene
- IUPAC
- N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
98064-13-26-Propyl-2-(2-(2-(2-(2-(1-((6-propylinden-2-yl)methyl)vinyl)phenyl)ethyl)phenyl)prop-2-enyl)indeneBenzamide der6-Propyl-2-(2-{2-[2-(2-{1-[(6-propylinden-2-yl)methyl]vinyl}phenyl)ethyl]phenyl}prop-2-enyl)indeneCHEMBL300899N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]disulfanyl]benzamide
Database identifiers
- CAS
98064-13-2- PubChem CID
- 457522
- ChEMBL
CHEMBL300899
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 893
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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