477330-21-5
N-(2,6-DIMETHYLPHENYL)-2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE
NameN-(2,6-DIMETHYLPHENYL)-2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE
pro_formulaC27 H27 N3 O3 S2
1Identification
【Name】
N-(2,6-DIMETHYLPHENYL)-2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03223556
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H27 N3 O3 S2
【pro_molWeight】
505.66
【Inchi】
InChI=1S/C27H27N3O3S2/c1-16-7-6-8-17(2)24(16)28-22(31)15-34-27-29-25-23(20-9-4-5-10-21(20)35-25)26(32)30(27)18-11-13-19(33-3)14-12-18/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,28,31)
【InChIKey】
InChIKey=GIIXFMBBPZBBGT-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2c5ccc(cc5)OC)C
【MOL File】
N-(2,6-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,6-DIMETHYLPHENYL)-2-[[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE.cml