587012-70-2
N-(2-ETHOXYPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2-ETHOXYPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2-ETHOXYPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04034278
【English Synonyms】
【Formula】
C22 H25 N3 O3 S2
【MolWeight】
443.59
【Inchi】
InChI=1S/C22H25N3O3S2/c1-3-25-21(27)19-14-9-5-8-12-17(14)30-20(19)24-22(25)29-13-18(26)23-15-10-6-7-11-16(15)28-4-2/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,23,26)
【InChIKey】
InChIKey=LUQOKNVCIZALQH-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4ccccc4OCC)CCCC3
【MOL File】
N-(2-ETHOXYPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-ETHOXYPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml