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603072-77-1 | Acetamide, N-(5-methyl-3-isoxazolyl)-2-[[4-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI)
CAS No: 603072-77-1 Catalog No: AG00EMIR MDL No:
Product Description
Catalog Number:
AG00EMIR
Chemical Name:
Acetamide, N-(5-methyl-3-isoxazolyl)-2-[[4-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI)
CAS Number:
603072-77-1
IUPAC Name:
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C12H17N5O2S/c1-7(2)11-14-15-12(17(11)4)20-6-10(18)13-9-5-8(3)19-16-9/h5,7H,6H2,1-4H3,(H,13,16,18)
InChI Key:
HBDFUZPCOMOZNC-UHFFFAOYSA-N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.361g/mol
Monoisotopic Mass:
295.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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