124733-03-5
FURO(3,4-B)PYRIDINE-3-CARBOXYLIC ACID, 1,4,5,7-TETRAHYDRO-4-(2-(DIFLUO ROMETHOXY)PHENYL)-2-METHYL-5-OXO-, 3-METHYLBUTYL ESTER
NameFURO(3,4-B)PYRIDINE-3-CARBOXYLIC ACID, 1,4,5,7-TETRAHYDRO-4-(2-(DIFLUO ROMETHOXY)PHENYL)-2-METHYL-5-OXO-, 3-METHYLBUTYL ESTER
1Identification
【Name】
FURO(3,4-B)PYRIDINE-3-CARBOXYLIC ACID, 1,4,5,7-TETRAHYDRO-4-(2-(DIFLUO ROMETHOXY)PHENYL)-2-METHYL-5-OXO-, 3-METHYLBUTYL ESTER
【CAS】
【MDL】
MFCD01753085
【English Synonyms】
【Formula】
C21 H23 F2 N O5
【MolWeight】
407.411
【Inchi】
InChI=1S/C21H23F2NO5/c1-11(2)8-9-27-19(25)16-12(3)24-14-10-28-20(26)18(14)17(16)13-6-4-5-7-15(13)29-21(22)23/h4-7,11,17,21,24H,8-10H2,1-3H3
【InChIKey】
InChIKey=IWXMRQFVUAGHOS-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C2=C(N1)COC2=O)c3ccccc3OC(F)F)C(=O)OCCC(C)C
【MOL File】
FURO(3,4-B)PYRIDINE-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
FURO(3,4-B)PYRIDINE-3-CARBOXYLIC ACID, 1,4,5,7-TETRAHYDRO-4-(2-(DIFLUO ROMETHOXY)PHENYL)-2-METHYL-5-OXO-, 3-METHYLBUTYL ESTER.cml