577982-05-9
2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-FLUOROPHENYL)ACETAMIDE
Name2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-FLUOROPHENYL)ACETAMIDE
pro_formulaC18 H18 F N3 O2 S2
1Identification
【Name】
2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-FLUOROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04021578
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H18 F N3 O2 S2
【pro_molWeight】
391.489
【Inchi】
InChI=1S/C18H18FN3O2S2/c1-4-22-17(24)15-10(2)11(3)26-16(15)21-18(22)25-9-14(23)20-13-7-5-12(19)6-8-13/h5-8H,4,9H2,1-3H3,(H,20,23)
【InChIKey】
InChIKey=OEEHBABIQVCEPY-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3ccc(cc3)F)C)C
【MOL File】
2-[(3-ETHYL-5,6-DIME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-FLUOROPHENYL)ACETAMIDE.cml