618432-35-2
2-[(2-[1,1'-BIPHENYL]-4-YL-2-OXOETHYL)SULFANYL]-3-(4-ETHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name2-[(2-[1,1'-BIPHENYL]-4-YL-2-OXOETHYL)SULFANYL]-3-(4-ETHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
2-[(2-[1,1'-BIPHENYL]-4-YL-2-OXOETHYL)SULFANYL]-3-(4-ETHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD03474477
【English Synonyms】
【Formula】
C32 H28 N2 O3 S2
【MolWeight】
552.716
【Inchi】
InChI=1S/C32H28N2O3S2/c1-2-37-25-18-16-24(17-19-25)34-31(36)29-26-10-6-7-11-28(26)39-30(29)33-32(34)38-20-27(35)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-5,8-9,12-19H,2,6-7,10-11,20H2,1H3
【InChIKey】
InChIKey=QSXGCZZAUMTEDM-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)n2c(=O)c3c4c(sc3nc2SCC(=O)c5ccc(cc5)c6ccccc6)CCCC4
【MOL File】
2-[(2-[1,1'-BIPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(2-[1,1'-BIPHENYL]-4-YL-2-OXOETHYL)SULFANYL]-3-(4-ETHOXYPHENYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml