578759-50-9
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
Name
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
Formula
C25 H21 Cl F N3 O2 S2
MolWeight
514.043
1Identification
【Name】
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03223892
【English Synonyms】
【Formula】
C25 H21 Cl F N3 O2 S2
【MolWeight】
514.043
【Inchi】
InChI=1S/C25H21ClFN3O2S2/c1-14-6-9-16(12-19(14)27)28-21(31)13-33-25-29-23-22(18-4-2-3-5-20(18)34-23)24(32)30(25)17-10-7-15(26)8-11-17/h6-12H,2-5,13H2,1H3,(H,28,31)
【InChIKey】
InChIKey=SKXBGHMKYXBJJP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1F)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2c5ccc(cc5)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE.cml
Quick Release
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Sigma-Aldrich Corporation
Catalog No:L416401-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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Catalog No:L416401-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 578759-50-9 Suppliers>>