586994-97-0
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
Name2-[[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
FormulaC27 H20 Cl N3 O2 S2
1Identification
【Name】
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
【CAS】
【MDL】
MFCD03224753
【English Synonyms】
【Formula】
C27 H20 Cl N3 O2 S2
【MolWeight】
518.059
【Inchi】
InChI=1S/C27H20ClN3O2S2/c28-17-11-13-18(14-12-17)31-26(33)24-20-8-4-10-22(20)35-25(24)30-27(31)34-15-23(32)29-21-9-3-6-16-5-1-2-7-19(16)21/h1-3,5-7,9,11-14H,4,8,10,15H2,(H,29,32)
【InChIKey】
InChIKey=XVGOSWHOGJCLLB-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cccc2NC(=O)CSc3nc4c(c5c(s4)CCC5)c(=O)n3c6ccc(cc6)Cl
【MOL File】
2-[[3-(4-CHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE.cml