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199852-12-5 | 7H-Thiazolo[3,2-a]pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-methoxy-5-(phenylmethyl)-
CAS No: 199852-12-5 Catalog No: AG002CET MDL No:
Product Description
Catalog Number:
AG002CET
Chemical Name:
7H-Thiazolo[3,2-a]pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-methoxy-5-(phenylmethyl)-
CAS Number:
199852-12-5
Molecular Formula:
C16H18N2O2S
Molecular Weight:
302.3913
IUPAC Name:
5-benzyl-6-ethyl-3-methoxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
InChI:
InChI=1S/C16H18N2O2S/c1-3-12-13(9-11-7-5-4-6-8-11)18-14(20-2)10-21-16(18)17-15(12)19/h4-8,14H,3,9-10H2,1-2H3
InChI Key:
VRBULHOOOOBZMQ-UHFFFAOYSA-N
SMILES:
COC1CSc2n1c(Cc1ccccc1)c(c(=O)n2)CC
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.392g/mol
Monoisotopic Mass:
302.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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