Basic information
- CAS
98502-81-9- Standard SMILES
O=C(CCCC(=O)NCCCNc1c2ccccc2nc2ccccc12)NCCCNc1c2ccccc2nc2ccccc12- InChIKey
FCLPUOKUZXAGFR-UHFFFAOYSA-N- Molecular formula
- C37H38N6O2
- Average molar mass
- 598.7 g/mol
- Monoisotopic mass
- 598.30562448
Names & identifiers
- Preferred name
- N,N'-Bis(3-(9-acridinylamino)propyl)pentanediamide
- IUPAC
- N,N'-bis[3-(acridin-9-ylamino)propyl]pentanediamide
Names & synonyms
98502-81-9N,N'-Bis(3-(9-acridinylamino)propyl)pentanediamideCHEMBL1191849DTXSID20913244Pentanediamide, N,N'-bis(3-(9-acridinylamino)propyl)-N~1~,N~5~-Bis{3-[(acridin-9(10H)-ylidene)amino]propyl}pentanediimidic acid
Database identifiers
- CAS
98502-81-9- PubChem CID
- 150484
- DTXSID
DTXSID20913244- ChEMBL
CHEMBL1191849
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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