Basic information
- CAS
76708-62-8- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCC(O)CO)cccc12- InChIKey
IKUIXQYBMXBORK-UHFFFAOYSA-N- Molecular formula
- C25H26N4O6S
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.15730574
Names & identifiers
- Preferred name
- 4-Acridinecarboxamide, N-(2,3-dihydroxypropyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-
- IUPAC
- N-(2,3-dihydroxypropyl)-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide
- English name
- 4-Acridinecarboxamide, N-(2,3-dihydroxypropyl)-9-((2-methoxy-4-((methy lsulfonyl)amino)phenyl)amino)-
- Molecular weight
- 0
Names & synonyms
76708-62-84-Acridinecarboxamide, N-(2,3-dihydroxypropyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-CHEMBL303511DTXSID20998031N-(2,3-Dihydroxypropyl)-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboximidic acidN-(2,3-Dihydroxypropyl)-9-{4-[(methanesulfonyl)amino]-2-methoxyanilino}acridine-4-carboximidic acid4-Acridinecarboxamide, N-(2,3-dihydroxypropyl)-9-((2-methoxy-4-((methy lsulfonyl)amino)phenyl)amino)-
Database identifiers
- CAS
76708-62-8- PubChem CID
- 149573
- DTXSID
DTXSID20998031- ChEMBL
CHEMBL303511- Nikkaji
- J85.406I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 839
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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