757192-84-0
((2-[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)AMINO]-1-METHYL-2-OXOETHYL)THIO)ACETIC ACID
Name((2-[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)AMINO]-1-METHYL-2-OXOETHYL)THIO)ACETIC ACID
1Identification
【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】
【MDL】
MFCD06340102
【English Synonyms】
【Formula】
C16 H19 N3 O4 S
【MolWeight】
349.409
【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)
【InChIKey】
InChIKey=ZEKLCZAVTAXCOJ-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)C(C)SCC(=O)O
【MOL File】
((2-[(1,5-DIMETHYL-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((2-[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)AMINO]-1-METHYL-2-OXOETHYL)THIO)ACETIC ACID.cml