N,N'-Bis(4-(9-acridinylamino)butyl)pentanediamide
Basic information
- CAS
98502-82-0- Standard SMILES
O=C(CCCC(=O)NCCCCNc1c2ccccc2nc2ccccc12)NCCCCNc1c2ccccc2nc2ccccc12- InChIKey
KURLEPJCNVHMBC-UHFFFAOYSA-N- Molecular formula
- C39H42N6O2
- Average molar mass
- 626.8 g/mol
- Monoisotopic mass
- 626.3369246
Names & identifiers
- Preferred name
- N,N'-Bis(4-(9-acridinylamino)butyl)pentanediamide
- IUPAC
- N,N'-bis[4-(acridin-9-ylamino)butyl]pentanediamide
Names & synonyms
98502-82-0N,N'-Bis(4-(9-acridinylamino)butyl)pentanediamideCHEMBL1188288DTXSID60913243Pentanediamide, N,N'-bis(4-(9-acridinylamino)butyl)-N~1~,N~5~-Bis{4-[(acridin-9(10H)-ylidene)amino]butyl}pentanediimidic acid
Database identifiers
- CAS
98502-82-0- PubChem CID
- 150485
- DTXSID
DTXSID60913243- ChEMBL
CHEMBL1188288
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 846
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Compound notes
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