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Home > Pyridines > 866020-06-6
866020-06-6 | 5-{[6-(thiomorpholin-4-yl)pyridin-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
CAS No: 866020-06-6 Catalog No: AG00IPG8 MDL No:MFCD04125527
Product Description
Catalog Number:
AG00IPG8
Chemical Name:
5-{[6-(thiomorpholin-4-yl)pyridin-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
CAS Number:
866020-06-6
Molecular Formula:
C14H14N4O3S
Molecular Weight:
318.3510
MDL Number:
MFCD04125527
IUPAC Name:
5-[(6-thiomorpholin-4-ylpyridin-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C14H14N4O3S/c19-12-10(13(20)17-14(21)16-12)7-9-1-2-11(15-8-9)18-3-5-22-6-4-18/h1-2,7-8H,3-6H2,(H2,16,17,19,20,21)
InChI Key:
MOPGREDCDPPKGU-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc(nc2)N2CCSCC2)C(=O)N1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.351g/mol
Monoisotopic Mass:
318.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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