N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide
Basic information
- CAS
66725-18-6- Standard SMILES
COc1cc(NS(=O)(=O)CCCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)c(OC)c2)ccc1Nc1c2ccccc2nc2ccccc12- InChIKey
SJIPVTVPMMWEEW-UHFFFAOYSA-N- Molecular formula
- C44H40N6O6S2
- Average molar mass
- 813 g/mol
- Monoisotopic mass
- 812.24507536
Names & identifiers
- Preferred name
- N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide
- IUPAC
- N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]butane-1,4-disulfonamide
Names & synonyms
1,4-BUTANEDISULFON-m-ANISIDIDE, 4',4''-BIS(9-ACRIDINYLAMINO)-N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide66725-18-6BRN 04705404',4''-Bis(9-acridinylamino)-1,4-butanedisulfon-m-anisidideCHEMBL3278053DTXSID90216870N~1~,N~4~-Bis{4-[(acridin-9-yl)amino]-3-methoxyphenyl}butane-1,4-disulfonamide
Database identifiers
- CAS
66725-18-6- PubChem CID
- 48025
- DTXSID
DTXSID90216870- ChEMBL
CHEMBL3278053- Nikkaji
- J64.653I
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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