477330-41-9
2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE
Name2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03223537
【English Synonyms】
【Formula】
C26 H25 N3 O3 S2
【MolWeight】
491.634
【Inchi】
InChI=1S/C26H25N3O3S2/c1-16-6-5-7-17(14-16)27-22(30)15-33-26-28-24-23(20-8-3-4-9-21(20)34-24)25(31)29(26)18-10-12-19(32-2)13-11-18/h5-7,10-14H,3-4,8-9,15H2,1-2H3,(H,27,30)
【InChIKey】
InChIKey=KEOZMYVRBVFXPE-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2c5ccc(cc5)OC
【MOL File】
2-[[3-(4-METHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE.cml