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199852-00-1 | 4(3H)-Pyrimidinone, 2-[(2,2-dimethoxyethyl)thio]-5-(1-methylethyl)-6-(phenylmethyl)-
CAS No: 199852-00-1 Catalog No: AG002CDK MDL No:
Product Description
Catalog Number:
AG002CDK
Chemical Name:
4(3H)-Pyrimidinone, 2-[(2,2-dimethoxyethyl)thio]-5-(1-methylethyl)-6-(phenylmethyl)-
CAS Number:
199852-00-1
Molecular Formula:
C18H24N2O3S
Molecular Weight:
348.4598
IUPAC Name:
4-benzyl-2-(2,2-dimethoxyethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C18H24N2O3S/c1-12(2)16-14(10-13-8-6-5-7-9-13)19-18(20-17(16)21)24-11-15(22-3)23-4/h5-9,12,15H,10-11H2,1-4H3,(H,19,20,21)
InChI Key:
SFXBPNCOPYPCGZ-UHFFFAOYSA-N
SMILES:
COC(CSc1nc(Cc2ccccc2)c(c(=O)[nH]1)C(C)C)OC
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.151g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.461g/mol
Monoisotopic Mass:
348.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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