578758-83-5
2-[(3-BROMOBENZYL)SULFANYL]-3-(4-CHLOROPHENYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Name2-[(3-BROMOBENZYL)SULFANYL]-3-(4-CHLOROPHENYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
pro_formulaC22 H16 Br Cl N2 O S2
1Identification
【Name】
2-[(3-BROMOBENZYL)SULFANYL]-3-(4-CHLOROPHENYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD03474594
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H16 Br Cl N2 O S2
【pro_molWeight】
503.87
【Inchi】
InChI=1S/C22H16BrClN2OS2/c23-14-4-1-3-13(11-14)12-28-22-25-20-19(17-5-2-6-18(17)29-20)21(27)26(22)16-9-7-15(24)8-10-16/h1,3-4,7-11H,2,5-6,12H2
【InChIKey】
InChIKey=SYAMDIXSANJFTD-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)CSc2nc3c(c4c(s3)CCC4)c(=O)n2c5ccc(cc5)Cl
【MOL File】
2-[(3-BROMOBENZYL)SU….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[(3-BROMOBENZYL)SULFANYL]-3-(4-CHLOROPHENYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE.cml