577982-86-6
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-ISOPROPYLPHENYL)ACETAMIDE
Name2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(4-ISOPROPYLPHENYL)ACETAMIDE
pro_formulaC23 H27 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-ISOPROPYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04021669
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H27 N3 O2 S2
【pro_molWeight】
441.617
【Inchi】
InChI=1S/C23H27N3O2S2/c1-4-26-22(28)20-17-7-5-6-8-18(17)30-21(20)25-23(26)29-13-19(27)24-16-11-9-15(10-12-16)14(2)3/h9-12,14H,4-8,13H2,1-3H3,(H,24,27)
【InChIKey】
InChIKey=CKQLEPSLOXCGEG-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4ccc(cc4)C(C)C)CCCC3
【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-ISOPROPYLPHENYL)ACETAMIDE.cml