609795-59-7
ALLYL 6-(5-BROMO-2-METHOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
NameALLYL 6-(5-BROMO-2-METHOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
FormulaC19 H19 Br N2 O4 S
1Identification
【Name】
ALLYL 6-(5-BROMO-2-METHOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
【CAS】
【MDL】
MFCD03530064
【English Synonyms】
【Formula】
C19 H19 Br N2 O4 S
【MolWeight】
451.339
【Inchi】
InChI=1S/C19H19BrN2O4S/c1-4-8-26-18(24)16-11(2)21-19-22(15(23)7-9-27-19)17(16)13-10-12(20)5-6-14(13)25-3/h4-6,10,17H,1,7-9H2,2-3H3
【InChIKey】
InChIKey=KLIXRZXFZJRVIH-UHFFFAOYSA-N
【SMILES】
CC1=C(C(N2C(=O)CCSC2=N1)c3cc(ccc3OC)Br)C(=O)OCC=C
【MOL File】
ALLYL 6-(5-BROMO-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALLYL 6-(5-BROMO-2-METHOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE.cml