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199852-30-7 | 7H-Thiazolo[3,2-a]pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-
CAS No: 199852-30-7 Catalog No: AG002CEN MDL No:
Product Description
Catalog Number:
AG002CEN
Chemical Name:
7H-Thiazolo[3,2-a]pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-
CAS Number:
199852-30-7
Molecular Formula:
C21H22N2O3S
Molecular Weight:
382.4760
IUPAC Name:
6-ethyl-3-(2-hydroxyethoxy)-5-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
InChI:
InChI=1S/C21H22N2O3S/c1-2-16-18(12-15-8-5-7-14-6-3-4-9-17(14)15)23-19(26-11-10-24)13-27-21(23)22-20(16)25/h3-9,19,24H,2,10-13H2,1H3
InChI Key:
TVYUHQCANCYRBZ-UHFFFAOYSA-N
SMILES:
OCCOC1CSc2n1c(Cc1cccc3c1cccc3)c(c(=O)n2)CC
NSC Number:
708371
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.135g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.478g/mol
Monoisotopic Mass:
382.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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