Basic information
- CAS
93637-62-8- Standard SMILES
CC(=O)Nc1ccc(C2(N(CCCl)CCCl)C=CC(/C=N/NC(=O)Cn3ccnc3)=CC2)cc1- InChIKey
QXMQXQWNXRGWKF-LQKURTRISA-N- Molecular formula
- C24H28Cl2N6O2
- Average molar mass
- 503.4 g/mol
- Monoisotopic mass
- 502.1650795
Names & identifiers
- Preferred name
- 1H-Imidazole-1-acetic acid, 4-(4-(acetylamino)phenyl)-((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide
- IUPAC
- N-[(E)-[4-(4-acetamidophenyl)-4-[bis(2-chloroethyl)amino]cyclohexa-1,5-dien-1-yl]methylideneamino]-2-imidazol-1-ylacetamide
Names & synonyms
1H-Imidazole-1-acetic acid, 4-(4-(acetylamino)phenyl)-((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide93637-62-8RefChem:1057946BRN 5664057
Database identifiers
- CAS
93637-62-8- PubChem CID
- 44153259
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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