Basic information
- CAS
94731-75-6- Standard SMILES
Cn1nc(C(=O)NCCNc2c3ccccc3nc3ccccc23)cc1C(=O)NCCNc1c2ccccc2nc2ccccc12- InChIKey
OAGZKYZTWQSVSY-UHFFFAOYSA-N- Molecular formula
- C36H32N8O2
- Average molar mass
- 608.7 g/mol
- Monoisotopic mass
- 608.26482229
Names & identifiers
- Preferred name
- 1H-Pyrazole-3,5-dicarboxamide, N,N'-bis(2-(9-acridinylamino)ethyl)-1-methyl-
- IUPAC
- 3-N,5-N-bis[2-(acridin-9-ylamino)ethyl]-1-methylpyrazole-3,5-dicarboxamide
Names & synonyms
1H-Pyrazole-3,5-dicarboxamide, N,N'-bis(2-(9-acridinylamino)ethyl)-1-methyl-94731-75-6N,N'-Bis(2-(9-acridinylamino)ethyl)-1-methyl-1H-pyrazole-3,5-dicarboxamideCHEMBL265349DTXSID80241590N~3~,N~5~-Bis{2-[(acridin-9-yl)amino]ethyl}-1-methyl-1H-pyrazole-3,5-dicarboxamide
Database identifiers
- CAS
94731-75-6- PubChem CID
- 150385
- DTXSID
DTXSID80241590- ChEMBL
CHEMBL265349
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 986
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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