133118-06-6
3,7-DIHYDRO-6-[4-[2-[N'-(5-FLUORESCEINYL)THIOUREIDO]ETHOXY]PHENYL]-2-METHYLIMIDAZO[1,2-A]PYRAZIN-3-ONE
Name3,7-DIHYDRO-6-[4-[2-[N'-(5-FLUORESCEINYL)THIOUREIDO]ETHOXY]PHENYL]-2-METHYLIMIDAZO[1,2-A]PYRAZIN-3-ONE
1Identification
【Name】
3,7-DIHYDRO-6-[4-[2-[N'-(5-FLUORESCEINYL)THIOUREIDO]ETHOXY]PHENYL]-2-METHYLIMIDAZO[1,2-A]PYRAZIN-3-ONE
【CAS】
【MDL】
MFCD04037231
【English Synonyms】
【Formula】
C36 H29 N5 O7 S
【MolWeight】
675.719
【Inchi】
InChI=1S/C36H29N5O7S/c1-19-34(44)41-18-27(38-17-30(41)39-19)20-6-9-22(10-7-20)47-15-14-40(36(37)49)32-28(43)13-12-26-31(23-4-2-3-5-24(23)35(45)46)25-11-8-21(42)16-29(25)48-33(26)32/h2-13,16-18,31,38,42-43H,14-15H2,1H3,(H2,37,49)(H,45,46)
【InChIKey】
InChIKey=SPMIAAJHMKLWHZ-UHFFFAOYSA-N
【SMILES】
Cc1c(=O)n-2cc([nH]cc2n1)c3ccc(cc3)OCCN(c4c(ccc5c4Oc6cc(ccc6C5c7ccccc7C(=O)O)O)O)C(=S)N
【MOL File】
3,7-DIHYDRO-6-[4-[2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:12
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,7-DIHYDRO-6-[4-[2-[N'-(5-FLUORESCEINYL)THIOUREIDO]ETHOXY]PHENYL]-2-METHYLIMIDAZO[1,2-A]PYRAZIN-3-ONE.cml