AC1NJK5F
2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxoquinazoline-7-carboxylic acid
Also Known As: 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid|2-(butylcarbamoylmethylsulfanyl)-3-(2,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxylic Acid|2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxoquinazoline-7-carboxylic acid
CAS: 854357-53-2
| Molecular Formula | C23H25N3O4S |
|---|---|
| Molecular Weight | 439.1566 g/mol |
| LogP | 3.70914 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.1566 |
| Monoisotopic Mass | 439.1566 |
| Heavy Atoms | 31 |
| Complexity | 1203.3812 |
Chemical Identifiers
| CAS Number | 854357-53-2 |
|---|---|
| SMILES | CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1C3=C(C=CC(=C3)C)C |
Product Overview
AC1NJK5F (CAS 854357-53-2), with molecular formula C23H25N3O4S and molecular weight 439.1566 g/mol. IUPAC: 2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxoquinazoline-7-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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