618411-35-1
BENZYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
NameBENZYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
1Identification
【Name】
BENZYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
【CAS】
【MDL】
MFCD03530078
【English Synonyms】
【Formula】
C22 H19 F N2 O3 S
【MolWeight】
410.467
【Inchi】
InChI=1S/C22H19FN2O3S/c1-14-19(21(27)28-13-15-6-3-2-4-7-15)20(16-8-5-9-17(23)12-16)25-18(26)10-11-29-22(25)24-14/h2-9,12,20H,10-11,13H2,1H3
【InChIKey】
InChIKey=ITRVJRUSYBPLHE-UHFFFAOYSA-N
【SMILES】
CC1=C(C(N2C(=O)CCSC2=N1)c3cccc(c3)F)C(=O)OCc4ccccc4
【MOL File】
BENZYL 6-(3-FLUOROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE.cml