Home Aminos ({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl}thio)acetic acid

({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl}thio)acetic acid

CAS No.:
757192-84-0
Catalog Number:
AG00G3U5
Molecular Formula:
C16H19N3O4S
Molecular Weight:
349.4048
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Product Description
Catalog Number:
AG00G3U5
Chemical Name:
({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl}thio)acetic acid
CAS Number:
757192-84-0
Molecular Formula:
C16H19N3O4S
Molecular Weight:
349.4048
MDL Number:
MFCD06340102
IUPAC Name:
2-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylacetic acid
InChI:
InChI=1S/C16H19N3O4S/c1-10-14(17-15(22)11(2)24-9-13(20)21)16(23)19(18(10)3)12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3,(H,17,22)(H,20,21)
InChI Key:
ZEKLCZAVTAXCOJ-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)C
Properties
Complexity:
558  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.11g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
349.405g/mol
Monoisotopic Mass:
349.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties