Basic information
- Standard SMILES
CC(C)CC(CCOS(=O)(=O)c1ccccc1)Nc1ccc(NC(CCOS(=O)(=O)c2ccccc2)CC(C)C)c2c1C(=O)c1ccccc1C2=O- InChIKey
CUIDPCJCJAPECI-UHFFFAOYSA-N- Molecular formula
- C40H46N2O8S2
- Average molar mass
- 746.9 g/mol
- Monoisotopic mass
- 746.26955878
Names & identifiers
- Preferred name
- [3-[[4-[[1-(Benzenesulfonyloxy)-5-methylhexan-3-yl]amino]-9,10-dioxoanthracen-1-yl]amino]-5-methylhexyl] benzenesulfonate
- IUPAC
- [3-[[4-[[1-(benzenesulfonyloxy)-5-methylhexan-3-yl]amino]-9,10-dioxoanthracen-1-yl]amino]-5-methylhexyl] benzenesulfonate
Database identifiers
- PubChem CID
- 166301
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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