618075-69-7
ISOBUTYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
NameISOBUTYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
1Identification
【Name】
ISOBUTYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
【CAS】
【MDL】
MFCD03530075
【English Synonyms】
【Formula】
C19 H21 F N2 O3 S
【MolWeight】
376.45
【Inchi】
InChI=1S/C19H21FN2O3S/c1-11(2)10-25-18(24)16-12(3)21-19-22(15(23)7-8-26-19)17(16)13-5-4-6-14(20)9-13/h4-6,9,11,17H,7-8,10H2,1-3H3
【InChIKey】
InChIKey=RHDOYTOWXYPTSQ-UHFFFAOYSA-N
【SMILES】
CC1=C(C(N2C(=O)CCSC2=N1)c3cccc(c3)F)C(=O)OCC(C)C
【MOL File】
ISOBUTYL 6-(3-FLUORO….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
ISOBUTYL 6-(3-FLUOROPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE.cml