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823192-02-5 | 4H-1,3-Thiazin-4-one, tetrahydro-2-(4-methoxyphenyl)-3-(phenylmethyl)-
CAS No: 823192-02-5 Catalog No: AG008KY4 MDL No:
Product Description
Catalog Number:
AG008KY4
Chemical Name:
4H-1,3-Thiazin-4-one, tetrahydro-2-(4-methoxyphenyl)-3-(phenylmethyl)-
CAS Number:
823192-02-5
Molecular Formula:
C18H19NO2S
Molecular Weight:
313.4140
IUPAC Name:
3-benzyl-2-(4-methoxyphenyl)-1,3-thiazinan-4-one
InChI:
InChI=1S/C18H19NO2S/c1-21-16-9-7-15(8-10-16)18-19(17(20)11-12-22-18)13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3
InChI Key:
DCGTYFFOFAUYQP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1SCCC(=O)N1Cc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.415g/mol
Monoisotopic Mass:
313.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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