200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 149744-75-2
149744-75-2 | Acetamide, N-[4-[2-(8-cyclopentyl-1,2,6,9-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl]phenyl]-
CAS No: 149744-75-2 Catalog No: AG001LZY MDL No:
Product Description
Catalog Number:
AG001LZY
Chemical Name:
Acetamide, N-[4-[2-(8-cyclopentyl-1,2,6,9-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl]phenyl]-
CAS Number:
149744-75-2
Molecular Formula:
C23H29N5O3
Molecular Weight:
423.5081
IUPAC Name:
N-[4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl]acetamide
InChI:
InChI=1S/C23H29N5O3/c1-3-13-28-22(30)19-21(26-20(25-19)17-6-4-5-7-17)27(23(28)31)14-12-16-8-10-18(11-9-16)24-15(2)29/h8-11,17H,3-7,12-14H2,1-2H3,(H,24,29)(H,25,26)
InChI Key:
XOFKHHZMYBONCM-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)n(CCc2ccc(cc2)NC(=O)C)c2c(c1=O)nc([nH]2)C1CCCC1
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.227g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.517g/mol
Monoisotopic Mass:
423.227g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Adenosine A1 antagonists. 3. Structure-activity relationships on amelioration against scopolamine- or N6-((R)-phenylisopropyl)adenosine-induced cognitive disturbance. | Journal of medicinal chemistry 19930820 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.