573973-71-4
N-(2-BROMOPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2-BROMOPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
FormulaC18 H18 Br N3 O2 S2
1Identification
【Name】
N-(2-BROMOPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04023251
【English Synonyms】
【Formula】
C18 H18 Br N3 O2 S2
【MolWeight】
452.395
【Inchi】
InChI=1S/C18H18BrN3O2S2/c1-4-22-17(24)15-10(2)11(3)26-16(15)21-18(22)25-9-14(23)20-13-8-6-5-7-12(13)19/h5-8H,4,9H2,1-3H3,(H,20,23)
【InChIKey】
InChIKey=JYNDSRXSKNMZKI-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3ccccc3Br)C)C
【MOL File】
N-(2-BROMOPHENYL)-2-….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-BROMOPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml