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73105-06-3 | N-[2-[(1-ACETYL-4-OXO-5H-IMIDAZOL-2-YL)SULFANYL]-2-METHYL-PROPYL]ACETAMIDE
CAS No: 73105-06-3 Catalog No: AG008QJX MDL No:
Product Description
Catalog Number:
AG008QJX
Chemical Name:
N-[2-[(1-ACETYL-4-OXO-5H-IMIDAZOL-2-YL)SULFANYL]-2-METHYL-PROPYL]ACETAMIDE
CAS Number:
73105-06-3
Molecular Formula:
C11H17N3O3S
Molecular Weight:
271.3360
IUPAC Name:
N-[2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-2-methylpropyl]acetamide
InChI:
InChI=1S/C11H17N3O3S/c1-7(15)12-6-11(3,4)18-10-13-9(17)5-14(10)8(2)16/h5-6H2,1-4H3,(H,12,15)
InChI Key:
KBUGESRDSYWKAV-UHFFFAOYSA-N
SMILES:
CC(=O)NCC(SC1=NC(=O)CN1C(=O)C)(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.335g/mol
Monoisotopic Mass:
271.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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