866854-36-6
UREA, N-[[5-[1,4-DIHYDRO-7-[(4-METHYL-1-PIPERAZINYL)METHYL]INDENO[1,2-C]PYRAZOL-3-YL]-2-THIENYL]METHYL]-N-METHYL-N'-[3-(TRIFLUOROMETHYL)PHENYL]-
NameUREA, N-[[5-[1,4-DIHYDRO-7-[(4-METHYL-1-PIPERAZINYL)METHYL]INDENO[1,2-C]PYRAZOL-3-YL]-2-THIENYL]METHYL]-N-METHYL-N'-[3-(TRIFLUOROMETHYL)PHENYL]-
1Identification
【Name】
UREA, N-[[5-[1,4-DIHYDRO-7-[(4-METHYL-1-PIPERAZINYL)METHYL]INDENO[1,2-C]PYRAZOL-3-YL]-2-THIENYL]METHYL]-N-METHYL-N'-[3-(TRIFLUOROMETHYL)PHENYL]-
【CAS】
【MDL】
MFCD16038944
【English Synonyms】
【Formula】
C30 H31 F3 N6 O S
【MolWeight】
580.676
【Inchi】
InChI=1S/C30H31F3N6OS/c1-37-10-12-39(13-11-37)17-19-6-7-20-15-25-27(24(20)14-19)35-36-28(25)26-9-8-23(41-26)18-38(2)29(40)34-22-5-3-4-21(16-22)30(31,32)33/h3-9,14,16H,10-13,15,17-18H2,1-2H3,(H,34,40)(H,35,36)
【InChIKey】
InChIKey=UKSRSPVTFVLKRY-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)C(F)(F)F)C3
【MOL File】
UREA, N-[[5-[1,4-DIH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
UREA, N-[[5-[1,4-DIHYDRO-7-[(4-METHYL-1-PIPERAZINYL)METHYL]INDENO[1,2-C]PYRAZOL-3-YL]-2-THIENYL]METHYL]-N-METHYL-N'-[3-(TRIFLUOROMETHYL)PHENYL]-.cml