Basic information
- CAS
5723-19-3- Standard SMILES
CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)c(OCc2c(F)cccc2Cl)c1- InChIKey
FQJPNPIUYJDJHG-UHFFFAOYSA-N- Molecular formula
- C30H36ClFN10O3
- Average molar mass
- 639.1 g/mol
- Monoisotopic mass
- 638.2644409
Names & identifiers
- Preferred name
- Agn-PC-0loqwq
- IUPAC
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]-4-(diethylamino)phenyl]methylideneamino]-5-[(4-methylpiperidin-1-yl)methyl]triazole-4-carboxamide
Names & synonyms
5723-19-3AGN-PC-0LOQWQDTXSID404112571-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorophenyl)methoxy]-4-(diethylamino)phenyl}methylidene)-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Database identifiers
- CAS
5723-19-3- PubChem CID
- 5223669
- DTXSID
DTXSID40411257
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 961
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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