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89442-28-4 | 4H-1,3-Thiazin-4-one, 2-(2,4-dichlorophenyl)tetrahydro-3-pyrazinyl-
CAS No: 89442-28-4 Catalog No: AG00437P MDL No:
Product Description
Catalog Number:
AG00437P
Chemical Name:
4H-1,3-Thiazin-4-one, 2-(2,4-dichlorophenyl)tetrahydro-3-pyrazinyl-
CAS Number:
89442-28-4
Molecular Formula:
C14H11Cl2N3OS
Molecular Weight:
340.2276
IUPAC Name:
2-(2,4-dichlorophenyl)-3-pyrazin-2-yl-1,3-thiazinan-4-one
InChI:
InChI=1S/C14H11Cl2N3OS/c15-9-1-2-10(11(16)7-9)14-19(13(20)3-6-21-14)12-8-17-4-5-18-12/h1-2,4-5,7-8,14H,3,6H2
InChI Key:
SULABOHUWLKKBC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C1SCCC(=O)N1c1cnccn1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.222g/mol
Monoisotopic Mass:
339g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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