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6549-77-5 | N-[4-(4-METHOXYPHENYL)-5-METHYL-1,3-THIAZOL-2-YL]-2-MORPHOLIN-4-YL-ACETAMIDE
CAS No: 6549-77-5 Catalog No: AG006PXV MDL No:
Product Description
Catalog Number:
AG006PXV
Chemical Name:
N-[4-(4-METHOXYPHENYL)-5-METHYL-1,3-THIAZOL-2-YL]-2-MORPHOLIN-4-YL-ACETAMIDE
CAS Number:
6549-77-5
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
IUPAC Name:
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
InChI:
InChI=1S/C17H21N3O3S/c1-12-16(13-3-5-14(22-2)6-4-13)19-17(24-12)18-15(21)11-20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3,(H,18,19,21)
InChI Key:
JFSALCYFFHHHNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(sc1C)NC(=O)CN1CCOCC1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.433g/mol
Monoisotopic Mass:
347.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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