916888-64-7
2-(4-(2-(TRIFLUOROMETHYL)BENZOYL)PIPERAZIN-1-YL)THIAZOLE-5-CARBOXYLIC ACID
Name2-(4-(2-(TRIFLUOROMETHYL)BENZOYL)PIPERAZIN-1-YL)THIAZOLE-5-CARBOXYLIC ACID
FormulaC16 H14 F3 N3 O3 S
1Identification
【Name】
2-(4-(2-(TRIFLUOROMETHYL)BENZOYL)PIPERAZIN-1-YL)THIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD13193184
【English Synonyms】
【Formula】
C16 H14 F3 N3 O3 S
【MolWeight】
385.365
【Inchi】
InChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25)
【InChIKey】
InChIKey=PHZDRQUKVAZUCA-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)N2CCN(CC2)c3ncc(s3)C(=O)O)C(F)(F)F
【MOL File】
2-(4-(2-(TRIFLUOROME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-(2-(TRIFLUOROMETHYL)BENZOYL)PIPERAZIN-1-YL)THIAZOLE-5-CARBOXYLIC ACID.cml