885460-70-8
2-(CHLOROMETHYL)-6-(4-FLUOROPHENYL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
Name2-(CHLOROMETHYL)-6-(4-FLUOROPHENYL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
FormulaC13 H8 Cl F N2 O S
1Identification
【Name】
2-(CHLOROMETHYL)-6-(4-FLUOROPHENYL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD06660498
【English Synonyms】
【Formula】
C13 H8 Cl F N2 O S
【MolWeight】
294.736
【Inchi】
InChI=1S/C13H8ClFN2OS/c14-6-11-16-9-5-10(19-12(9)13(18)17-11)7-1-3-8(15)4-2-7/h1-5H,6H2,(H,16,17,18)
【InChIKey】
InChIKey=POQSONIXXQIFSS-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2cc3c(s2)c(=O)[nH]c(n3)CCl)F
【MOL File】
2-(CHLOROMETHYL)-6-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(CHLOROMETHYL)-6-(4-FLUOROPHENYL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE.cml