577960-12-4
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-ETHYLPHENYL)ACETAMIDE
Name2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-ETHYLPHENYL)ACETAMIDE
pro_formulaC22 H25 N3 O2 S2
1Identification
【Name】
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-ETHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04028505
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H25 N3 O2 S2
【pro_molWeight】
427.591
【Inchi】
InChI=1S/C22H25N3O2S2/c1-3-14-9-11-15(12-10-14)23-18(26)13-28-22-24-20-19(21(27)25(22)4-2)16-7-5-6-8-17(16)29-20/h9-12H,3-8,13H2,1-2H3,(H,23,26)
【InChIKey】
InChIKey=AFYKBHUIZDQNBF-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2CC
【MOL File】
2-[(3-ETHYL-4-OXO-3,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-ETHYLPHENYL)ACETAMIDE.cml