554436-89-4
2-(CHLOROMETHYL)-6-METHYL-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
Name2-(CHLOROMETHYL)-6-METHYL-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
pro_formulaC14 H11 Cl N2 O S
1Identification
【Name】
2-(CHLOROMETHYL)-6-METHYL-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD03987232
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H11 Cl N2 O S
【pro_molWeight】
290.773
【Inchi】
InChI=1S/C14H11ClN2OS/c1-8-11(9-5-3-2-4-6-9)12-13(18)16-10(7-15)17-14(12)19-8/h2-6H,7H2,1H3,(H,16,17,18)
【InChIKey】
InChIKey=BQSWUMCOPXLJJR-UHFFFAOYSA-N
【SMILES】
Cc1c(c2c(=O)[nH]c(nc2s1)CCl)c3ccccc3
【MOL File】
2-(CHLOROMETHYL)-6-M….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(CHLOROMETHYL)-6-METHYL-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE.cml