Basic information
- CAS
76708-63-9- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCC(N)=O)cccc12- InChIKey
HJPHVYDSLSTSRB-UHFFFAOYSA-N- Molecular formula
- C24H23N5O5S
- Average molar mass
- 493.5 g/mol
- Monoisotopic mass
- 493.14199002
Names & identifiers
- Preferred name
- 4-Acridinecarboxamide, N-(2-amino-2-oxoethyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-
- IUPAC
- N-(2-amino-2-oxoethyl)-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide
Names & synonyms
4-Acridinecarboxamide, N-(2-amino-2-oxoethyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-76708-63-9CHEMBL290881DTXSID60227534N-(2-amino-2-oxoethyl)-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide
Database identifiers
- CAS
76708-63-9- PubChem CID
- 149574
- DTXSID
DTXSID60227534- ChEMBL
CHEMBL290881- Nikkaji
- J85.398D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 865
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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