110525-41-2
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-4-(2-((DIFLUOROMETHYL)THIO) PHENYL)-2,6-DIMETHYL-, BIS(1-METHYLETHYL) ESTER
Name3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-4-(2-((DIFLUOROMETHYL)THIO) PHENYL)-2,6-DIMETHYL-, BIS(1-METHYLETHYL) ESTER
1Identification
【Name】
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-4-(2-((DIFLUOROMETHYL)THIO) PHENYL)-2,6-DIMETHYL-, BIS(1-METHYLETHYL) ESTER
【CAS】
【MDL】
MFCD01691944
【English Synonyms】
【Formula】
C22 H27 F2 N O4 S
【MolWeight】
439.52
【Inchi】
InChI=1S/C22H27F2NO4S/c1-11(2)28-20(26)17-13(5)25-14(6)18(21(27)29-12(3)4)19(17)15-9-7-8-10-16(15)30-22(23)24/h7-12,19,22,25H,1-6H3
【InChIKey】
InChIKey=WSMKHNRRVOZCCQ-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2ccccc2SC(F)F)C(=O)OC(C)C
【MOL File】
3,5-PYRIDINEDICARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-4-(2-((DIFLUOROMETHYL)THIO) PHENYL)-2,6-DIMETHYL-, BIS(1-METHYLETHYL) ESTER.cml