200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 263842-96-2
263842-96-2 | 1H-Imidazole-4-sulfonic acid, 1-methyl-, 4-[[5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl ester
CAS No: 263842-96-2 Catalog No: AG002SYA MDL No:
Product Description
Catalog Number:
AG002SYA
Chemical Name:
1H-Imidazole-4-sulfonic acid, 1-methyl-, 4-[[5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl ester
CAS Number:
263842-96-2
Molecular Formula:
C31H38N2O6S2
Molecular Weight:
598.7732
IUPAC Name:
[5-tert-butyl-4-[[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] 1-methylimidazole-4-sulfonate
InChI:
InChI=1S/C31H38N2O6S2/c1-20(2)31(14-13-22-11-9-8-10-12-22)17-24(34)28(29(35)38-31)40-26-15-21(3)25(16-23(26)30(4,5)6)39-41(36,37)27-18-33(7)19-32-27/h8-12,15-16,18-20,34H,13-14,17H2,1-7H3
InChI Key:
HJEVIGQXQGBBLS-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)S(=O)(=O)Oc1cc(c(cc1C)SC1=C(O)CC(OC1=O)(CCc1ccccc1)C(C)C)C(C)(C)C
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.217g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
598.773g/mol
Monoisotopic Mass:
598.217g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| 5,6-Dihydropyran-2-ones possessing various sulfonyl functionalities: potent nonpeptidic inhibitors of HIV protease. | Journal of medicinal chemistry 20000309 |
Related Products
© 2019 Angene International Limited. All rights Reserved.