Home Aminos ((2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)amino]-2-oxoethyl)thio)acetic acid

((2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)amino]-2-oxoethyl)thio)acetic acid

CAS No.:
697741-80-3
Catalog Number:
AG00IBZH
Molecular Formula:
C15H17N3O4S
Molecular Weight:
335.3782
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Product Description
Catalog Number:
AG00IBZH
Chemical Name:
((2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)amino]-2-oxoethyl)thio)acetic acid
CAS Number:
697741-80-3
Molecular Formula:
C15H17N3O4S
Molecular Weight:
335.3782
MDL Number:
MFCD02680096
IUPAC Name:
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
InChI:
InChI=1S/C15H17N3O4S/c1-10-14(16-12(19)8-23-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)
InChI Key:
OGWVACWSBPFAOT-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CSCC(=O)O
Properties
Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.094g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
335.378g/mol
Monoisotopic Mass:
335.094g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties