477331-64-9
2-[[2-(2,5-DIMETHOXYPHENYL)-2-OXOETHYL]SULFANYL]-3-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name2-[[2-(2,5-DIMETHOXYPHENYL)-2-OXOETHYL]SULFANYL]-3-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
pro_formulaC27 H26 N2 O5 S2
1Identification
【Name】
2-[[2-(2,5-DIMETHOXYPHENYL)-2-OXOETHYL]SULFANYL]-3-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD03223487
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H26 N2 O5 S2
【pro_molWeight】
522.643
【Inchi】
InChI=1S/C27H26N2O5S2/c1-32-17-10-8-16(9-11-17)29-26(31)24-19-6-4-5-7-23(19)36-25(24)28-27(29)35-15-21(30)20-14-18(33-2)12-13-22(20)34-3/h8-14H,4-7,15H2,1-3H3
【InChIKey】
InChIKey=UNCOHXGIKKZBBD-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)n2c(=O)c3c4c(sc3nc2SCC(=O)c5cc(ccc5OC)OC)CCCC4
【MOL File】
2-[[2-(2,5-DIMETHOXY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[2-(2,5-DIMETHOXYPHENYL)-2-OXOETHYL]SULFANYL]-3-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml