Basic information
- CAS
34372-32-2- Standard SMILES
Cc1ccccc1Nc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5C)nc(N5CCOCC5)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)nc(N2CCOCC2)n1- InChIKey
TYMDEYSBAXREMJ-UHFFFAOYSA-N- Molecular formula
- C42H44N12O8S2
- Average molar mass
- 909 g/mol
- Monoisotopic mass
- 908.28464876
Names & identifiers
- Preferred name
- 2,2'-(1,2-Ethenediyl)bis[5-[[4-[(2-methylphenyl)amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid]
- IUPAC
- 5-[[4-(2-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Names & synonyms
2,2'-(1,2-Ethenediyl)bis[5-[[4-[(2-methylphenyl)amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid]34372-32-2SCHEMBL1832183DTXSID708918262,2'-(Ethene-1,2-diyl)bis(5-{[4-(2-methylanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}benzene-1-sulfonic acid)
Database identifiers
- CAS
34372-32-2- PubChem CID
- 32186
- DTXSID
DTXSID70891826
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 14
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…