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199852-24-9 | 7H-Thiazolo[3,2-a]pyrimidin-7-one, 5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-
CAS No: 199852-24-9 Catalog No: AG002CEP MDL No:
Product Description
Catalog Number:
AG002CEP
Chemical Name:
7H-Thiazolo[3,2-a]pyrimidin-7-one, 5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-
CAS Number:
199852-24-9
Molecular Formula:
C19H24N2O3S
Molecular Weight:
360.4705
IUPAC Name:
5-[(3,5-dimethylphenyl)methyl]-6-ethyl-3-(2-hydroxyethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
InChI:
InChI=1S/C19H24N2O3S/c1-4-15-16(10-14-8-12(2)7-13(3)9-14)21-17(24-6-5-22)11-25-19(21)20-18(15)23/h7-9,17,22H,4-6,10-11H2,1-3H3
InChI Key:
ZRBNQKAKXAYYEO-UHFFFAOYSA-N
SMILES:
OCCOC1CSc2n1c(Cc1cc(C)cc(c1)C)c(c(=O)n2)CC
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.151g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.472g/mol
Monoisotopic Mass:
360.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
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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