200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 197915-35-8
197915-35-8 | 2H-Pyran-2-one, 3-[[2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl]thio]-5,6-dihydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-
CAS No: 197915-35-8 Catalog No: AG002B61 MDL No:
Product Description
Catalog Number:
AG002B61
Chemical Name:
2H-Pyran-2-one, 3-[[2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl]thio]-5,6-dihydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-
CAS Number:
197915-35-8
Molecular Formula:
C31H34O5S
Molecular Weight:
518.6637
IUPAC Name:
5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-3H-pyran-6-one
InChI:
InChI=1S/C31H34O5S/c1-20-16-27(25(30(2,3)4)17-22(20)19-32)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(33)13-11-21/h5-13,16-17,32-34H,14-15,18-19H2,1-4H3
InChI Key:
VECRKWQZKGWWSL-UHFFFAOYSA-N
SMILES:
OCc1cc(c(cc1C)SC1=C(O)CC(OC1=O)(CCc1ccc(cc1)O)c1ccccc1)C(C)(C)C
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.213g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
518.668g/mol
Monoisotopic Mass:
518.213g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Nonpeptidic HIV protease inhibitors possessing excellent antiviral activities and therapeutic indices. PD 178390: a lead HIV protease inhibitor. | Bioorganic & medicinal chemistry 19991201 |
| Synthesis of 5,6-dihydro-4-hydroxy-2-pyrones as HIV-1 protease inhibitors: the profound effect of polarity on antiviral activity. | Journal of medicinal chemistry 19971107 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.