372137-35-4
2-CHLORO-5-[3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL]-4-FLUORO-N-[[METHYL(1-METHYLETHYL)AMINO]SULFONYL]BENZAMIDE
Name2-CHLORO-5-[3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL]-4-FLUORO-N-[[METHYL(1-METHYLETHYL)AMINO]SULFONYL]BENZAMIDE
FormulaC17 H17 Cl F4 N4 O5 S
1Identification
【Name】
2-CHLORO-5-[3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL]-4-FLUORO-N-[[METHYL(1-METHYLETHYL)AMINO]SULFONYL]BENZAMIDE
【CAS】
【MDL】
MFCD16875523
【English Synonyms】
【Formula】
C17 H17 Cl F4 N4 O5 S
【MolWeight】
500.855
【Inchi】
InChI=1S/C17H17ClF4N4O5S/c1-8(2)25(4)32(30,31)23-15(28)9-5-12(11(19)6-10(9)18)26-14(27)7-13(17(20,21)22)24(3)16(26)29/h5-8H,1-4H3,(H,23,28)
【InChIKey】
InChIKey=GNHDVXLWBQYPJE-UHFFFAOYSA-N
【SMILES】
CC(C)N(C)S(=O)(=O)NC(=O)c1cc(c(cc1Cl)F)n2c(=O)cc(n(c2=O)C)C(F)(F)F
【MOL File】
2-CHLORO-5-[3,6-DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL]-4-FLUORO-N-[[METHYL(1-METHYLETHYL)AMINO]SULFONYL]BENZAMIDE.cml