577962-34-6
N-(2,4-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2,4-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
FormulaC18 H17 F2 N3 O2 S2
1Identification
【Name】
N-(2,4-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04028710
【English Synonyms】
【Formula】
C18 H17 F2 N3 O2 S2
【MolWeight】
409.479
【Inchi】
InChI=1S/C18H17F2N3O2S2/c1-4-23-17(25)15-9(2)10(3)27-16(15)22-18(23)26-8-14(24)21-13-6-5-11(19)7-12(13)20/h5-7H,4,8H2,1-3H3,(H,21,24)
【InChIKey】
InChIKey=OLLDSGKLVLVVEV-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3ccc(cc3F)F)C)C
【MOL File】
N-(2,4-DIFLUOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,4-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml