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Home > Indoles and Oxindole > 383147-99-7
383147-99-7 | 2-{2-[(5-acetyl-4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 383147-99-7 Catalog No: AG00IPP2 MDL No:MFCD03012039
Product Description
Catalog Number:
AG00IPP2
Chemical Name:
2-{2-[(5-acetyl-4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
383147-99-7
Molecular Formula:
C17H15N3O3S
Molecular Weight:
341.3843
MDL Number:
MFCD03012039
IUPAC Name:
2-[2-(5-acetyl-4-methylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H15N3O3S/c1-10-14(11(2)21)9-18-17(19-10)24-8-7-20-15(22)12-5-3-4-6-13(12)16(20)23/h3-6,9H,7-8H2,1-2H3
InChI Key:
RVHKJAKQGGAGHP-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(nc1C)SCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.385g/mol
Monoisotopic Mass:
341.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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