Carbamic acid, (9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-3-acridinyl)-, methyl ester

HCID 149774

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Basic information

CAS: 79453-40-0
Standard SMILES: COC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1
InChIKey: SKBHCRWZLVBHHM-UHFFFAOYSA-N
Molecular formula: C23H22N4O5S
Average molar mass: 466.5 g/mol
Monoisotopic mass: 466.13109099

Names & identifiers

Preferred name: Carbamic acid, (9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-3-acridinyl)-, methyl ester
IUPAC: methyl N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]carbamate

Names & synonyms

79453-40-0Carbamic acid, (9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-3-acridinyl)-, methyl esterMethyl (9-((2-methoxy-4-(methylsulfonamido)phenyl)amino)acridin-3-yl)carbamateCHEMBL110116DTXSID90229682Methyl {9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl}carbamate

Database identifiers

CAS: 79453-40-0
PubChem CID: 149774
DTXSID: DTXSID90229682
ChEMBL: CHEMBL110116

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 127 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 775

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