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87125-97-1 | 2-(4-METHYL-6-MORPHOLIN-4-YL-PYRIMIDIN-2-YL)SULFANYL-2-PHENYL-ACETIC A CID
CAS No: 87125-97-1 Catalog No: AG004KPT MDL No:
Product Description
Catalog Number:
AG004KPT
Chemical Name:
2-(4-METHYL-6-MORPHOLIN-4-YL-PYRIMIDIN-2-YL)SULFANYL-2-PHENYL-ACETIC A CID
CAS Number:
87125-97-1
Molecular Formula:
C17H19N3O3S
Molecular Weight:
345.4161
IUPAC Name:
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
InChI:
InChI=1S/C17H19N3O3S/c1-12-11-14(20-7-9-23-10-8-20)19-17(18-12)24-15(16(21)22)13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3,(H,21,22)
InChI Key:
RHRSBTVNCCOGDJ-UHFFFAOYSA-N
SMILES:
Cc1nc(SC(c2ccccc2)C(=O)O)nc(c1)N1CCOCC1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.417g/mol
Monoisotopic Mass:
345.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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