Basic information
- CAS
98502-87-5- Standard SMILES
O=C(CC(CC(=O)NCCCCNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12)NCCCCNc1c2ccccc2nc2ccccc12- InChIKey
GWBXEPLWGXKSNN-UHFFFAOYSA-N- Molecular formula
- C52H50N8O2
- Average molar mass
- 819 g/mol
- Monoisotopic mass
- 818.40567287
Names & identifiers
- Preferred name
- Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(4-(9-acridinylamino)butyl)-
- IUPAC
- 3-(acridin-9-ylamino)-N,N'-bis[4-(acridin-9-ylamino)butyl]pentanediamide
Names & synonyms
Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(4-(9-acridinylamino)butyl)-98502-87-53-(9-Acridinylamino)-N,N'-bis(4-(9-acridinylamino)butyl)pentanediamideCHEMBL1187910DTXSID402435953-[(Acridin-9-yl)amino]-N~1~,N~5~-bis{4-[(acridin-9-yl)amino]butyl}pentanediamide
Database identifiers
- CAS
98502-87-5- PubChem CID
- 150490
- DTXSID
DTXSID40243595- ChEMBL
CHEMBL1187910
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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