577998-00-6
N-[1,1'-BIPHENYL]-2-YL-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-[1,1'-BIPHENYL]-2-YL-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-[1,1'-BIPHENYL]-2-YL-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04022669
【English Synonyms】
【Formula】
C24 H23 N3 O2 S2
【MolWeight】
449.597
【Inchi】
InChI=1S/C24H23N3O2S2/c1-4-27-23(29)21-15(2)16(3)31-22(21)26-24(27)30-14-20(28)25-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,25,28)
【InChIKey】
InChIKey=XYISGVQFIVCQMZ-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3ccccc3c4ccccc4)C)C
【MOL File】
N-[1,1'-BIPHENYL]-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[1,1'-BIPHENYL]-2-YL-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml