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199852-15-8 | 7H-Thiazolo[3,2-a]pyrimidin-7-one, 3-ethoxy-6-ethyl-2,3-dihydro-5-(phenylmethyl)-
CAS No: 199852-15-8 Catalog No: AG002CES MDL No:
Product Description
Catalog Number:
AG002CES
Chemical Name:
7H-Thiazolo[3,2-a]pyrimidin-7-one, 3-ethoxy-6-ethyl-2,3-dihydro-5-(phenylmethyl)-
CAS Number:
199852-15-8
Molecular Formula:
C17H20N2O2S
Molecular Weight:
316.4179
IUPAC Name:
5-benzyl-3-ethoxy-6-ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
InChI:
InChI=1S/C17H20N2O2S/c1-3-13-14(10-12-8-6-5-7-9-12)19-15(21-4-2)11-22-17(19)18-16(13)20/h5-9,15H,3-4,10-11H2,1-2H3
InChI Key:
PNNSEDAUCLPTOR-UHFFFAOYSA-N
SMILES:
CCOC1CSc2n1c(Cc1ccccc1)c(c(=O)n2)CC
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.419g/mol
Monoisotopic Mass:
316.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV-1 activity of novel 2,3-dihydro-7H-thiazolo[3,2-a]pyrimidin-7-ones. | Journal of medicinal chemistry 19980115 |
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