Basic information
- CAS
98502-85-3- Standard SMILES
O=C(CCCC(=O)NCCCCCCCNc1c2ccccc2nc2ccccc12)NCCCCCCCNc1c2ccccc2nc2ccccc12- InChIKey
PEMYUMLWVZXMHW-UHFFFAOYSA-N- Molecular formula
- C45H54N6O2
- Average molar mass
- 710.9 g/mol
- Monoisotopic mass
- 710.43082499
Names & identifiers
- Preferred name
- Pentanediamide, N,N'-bis(7-(9-acridinylamino)heptyl)-
- IUPAC
- N,N'-bis[7-(acridin-9-ylamino)heptyl]pentanediamide
Names & synonyms
Pentanediamide, N,N'-bis(7-(9-acridinylamino)heptyl)-98502-85-3N,N'-Bis(7-(9-acridinylamino)heptyl)pentanediamideCHEMBL1195546DTXSID20243593N~1~,N~5~-Bis{7-[(acridin-9-yl)amino]heptyl}pentanediamide
Database identifiers
- CAS
98502-85-3- PubChem CID
- 150488
- DTXSID
DTXSID20243593- ChEMBL
CHEMBL1195546
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 934
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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