N,N'-(1,3,4-Oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl))bis(4-chlorobenzamide)
Basic information
- CAS
83949-28-4- Standard SMILES
Nc1c(-c2nnc(-c3cc(NC(=O)c4ccc(Cl)cc4)c4c(c3N)C(=O)c3ccccc3C4=O)o2)cc(NC(=O)c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O- InChIKey
DKHDUFPNHRWZOW-UHFFFAOYSA-N- Molecular formula
- C44H24Cl2N6O7
- Average molar mass
- 819.6 g/mol
- Monoisotopic mass
- 818.1083525
Names & identifiers
- Preferred name
- N,N'-(1,3,4-Oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl))bis(4-chlorobenzamide)
- IUPAC
- N-[4-amino-3-[5-[1-amino-4-[(4-chlorobenzoyl)amino]-9,10-dioxoanthracen-2-yl]-1,3,4-oxadiazol-2-yl]-9,10-dioxoanthracen-1-yl]-4-chlorobenzamide
- English name
- N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl)]bis[4-chlorobenzamide]
- Molecular formula
- C44H24Cl2N6O7
- Molecular weight
- 819.60336
Names & synonyms
83949-28-4EINECS 281-388-0N,N'-(1,3,4-Oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl))bis(4-chlorobenzamide)DKHDUFPNHRWZOW-UHFFFAOYSA-NDTXSID701108149NS00062125Benzamide, N,Na(2)-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxo-3,1-anthracenediyl)]bis[4-chloro-N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl)]bis[4-chlorobenzamide]N,N'-[3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis[(4-amino-9,10-dihydro-9,10-dioxoanthracen)-1-yl]]bis(4-chlorobenzamide)
Database identifiers
- CAS
83949-28-4- PubChem CID
- 44150855
- DTXSID
DTXSID701108149- EC Number
- 281-388-0
- Nikkaji
- J332.931C
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…