Home Other Building Blocks N-[3-(3-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide

N-[3-(3-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide

CAS No.:
1031130-96-7
Catalog Number:
AG019LIV
Molecular Formula:
C13H14N4OS
Molecular Weight:
274.3415
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Product Description
Catalog Number:
AG019LIV
Chemical Name:
N-[3-(3-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide
CAS Number:
1031130-96-7
Molecular Formula:
C13H14N4OS
Molecular Weight:
274.3415
MDL Number:
MFCD09971477
IUPAC Name:
N-[3-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetamide
InChI:
InChI=1S/C13H14N4OS/c1-8(18)14-10-3-2-4-11(7-10)17-12(9-5-6-9)15-16-13(17)19/h2-4,7,9H,5-6H2,1H3,(H,14,18)(H,16,19)
InChI Key:
WYGKRXYDIUHQTQ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)n1c(S)nnc1C1CC1
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.342g/mol
Monoisotopic Mass:
274.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties