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199852-48-7 | 7H-Thiazolo[3,2-a]pyrimidin-7-one, 3-(bromomethyl)-5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-
CAS No: 199852-48-7 Catalog No: AG002CEH MDL No:
Product Description
Catalog Number:
AG002CEH
Chemical Name:
7H-Thiazolo[3,2-a]pyrimidin-7-one, 3-(bromomethyl)-5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-
CAS Number:
199852-48-7
Molecular Formula:
C18H21BrN2OS
Molecular Weight:
393.3411
IUPAC Name:
3-(bromomethyl)-5-[(3,5-dimethylphenyl)methyl]-6-ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
InChI:
InChI=1S/C18H21BrN2OS/c1-4-15-16(8-13-6-11(2)5-12(3)7-13)21-14(9-19)10-23-18(21)20-17(15)22/h5-7,14H,4,8-10H2,1-3H3
InChI Key:
VXSQSHSYDFDUAU-UHFFFAOYSA-N
SMILES:
BrCC1CSc2n1c(Cc1cc(C)cc(c1)C)c(c(=O)n2)CC
NSC Number:
708372
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.343g/mol
Monoisotopic Mass:
392.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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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