577697-19-9
N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
FormulaC19 H17 Cl F3 N3 O2 S2
1Identification
【Name】
N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04027690
【English Synonyms】
【Formula】
C19 H17 Cl F3 N3 O2 S2
【MolWeight】
475.941
【Inchi】
InChI=1S/C19H17ClF3N3O2S2/c1-4-26-17(28)15-9(2)10(3)30-16(15)25-18(26)29-8-14(27)24-13-7-11(19(21,22)23)5-6-12(13)20/h5-7H,4,8H2,1-3H3,(H,24,27)
【InChIKey】
InChIKey=YJLMIZGUOMGTPS-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)C)C
【MOL File】
N-[2-CHLORO-5-(TRIFL….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-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml