Basic information
- CAS
401639-85-8- Standard SMILES
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=NCCN=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O- InChIKey
DAGTUSAQFPZQRZ-UHFFFAOYSA-N- Molecular formula
- C24H22Cl2N6O2
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 496.1181294
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 4,4a(2)-[1,2-ethanediylbis(iminomethylidyne)]bis[2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
- IUPAC
- 2-(4-chlorophenyl)-4-[2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]ethyliminomethyl]-5-methyl-1H-pyrazol-3-one
Names & synonyms
DTXSID501111031AKOS024364004401639-85-8ST509957201-(4-chlorophenyl)-4-({[2-({[1-(4-chlorophenyl)-3-methyl-5-oxo(1,2-diazolin-4- ylidene)]methyl}amino)ethyl]amino}methylene)-3-methyl-1,2-diazolin-5-one3H-Pyrazol-3-one, 4,4a(2)-[1,2-ethanediylbis(iminomethylidyne)]bis[2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
Database identifiers
- CAS
401639-85-8- PubChem CID
- 3545334
- DTXSID
DTXSID501111031
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 840
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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