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199852-26-1 | 7H-Thiazolo[3,2-a]pyrimidin-7-one, 3-ethoxy-2,3-dihydro-6-(1-methylethyl)-5-(phenylmethyl)-
CAS No: 199852-26-1 Catalog No: AG002CEO MDL No:
Product Description
Catalog Number:
AG002CEO
Chemical Name:
7H-Thiazolo[3,2-a]pyrimidin-7-one, 3-ethoxy-2,3-dihydro-6-(1-methylethyl)-5-(phenylmethyl)-
CAS Number:
199852-26-1
Molecular Formula:
C18H22N2O2S
Molecular Weight:
330.4445
IUPAC Name:
5-benzyl-3-ethoxy-6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
InChI:
InChI=1S/C18H22N2O2S/c1-4-22-15-11-23-18-19-17(21)16(12(2)3)14(20(15)18)10-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChI Key:
DGPTYSFHJPZPQU-UHFFFAOYSA-N
SMILES:
CCOC1CSc2n1c(Cc1ccccc1)c(c(=O)n2)C(C)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.446g/mol
Monoisotopic Mass:
330.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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