950769-60-5
7-(2-MORPHOLIN-4-YL-ETHOXY)-2-(4-NITROPHENYL)IMIDAZO[2,1-B][1,3]-BENZOTHIAZOLE
Name7-(2-MORPHOLIN-4-YL-ETHOXY)-2-(4-NITROPHENYL)IMIDAZO[2,1-B][1,3]-BENZOTHIAZOLE
1Identification
【Name】
7-(2-MORPHOLIN-4-YL-ETHOXY)-2-(4-NITROPHENYL)IMIDAZO[2,1-B][1,3]-BENZOTHIAZOLE
【CAS】
【MDL】
MFCD17019216
【English Synonyms】
【Formula】
C21 H20 N4 O4 S
【MolWeight】
424.479
【Inchi】
InChI=1S/C21H20N4O4S/c26-25(27)16-3-1-15(2-4-16)18-14-24-19-6-5-17(13-20(19)30-21(24)22-18)29-12-9-23-7-10-28-11-8-23/h1-6,13-14H,7-12H2
【InChIKey】
InChIKey=YGQURMQHUGDYAO-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2cn3c4ccc(cc4sc3n2)OCCN5CCOCC5)[N+](=O)[O-]
【MOL File】
7-(2-MORPHOLIN-4-YL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-MORPHOLIN-4-YL-ETHOXY)-2-(4-NITROPHENYL)IMIDAZO[2,1-B][1,3]-BENZOTHIAZOLE.cml