76099-00-8
1,4-EPOXY-1H,3H-(1,4)OXAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-HEXYL-
Name1,4-EPOXY-1H,3H-(1,4)OXAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-HEXYL-
1Identification
【Name】
1,4-EPOXY-1H,3H-(1,4)OXAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-HEXYL-
【CAS】
【MDL】
MFCD01729478
【English Synonyms】
【Formula】
C17 H22 N2 O2
【MolWeight】
286.373
【Inchi】
InChI=1S/C17H22N2O2/c1-2-3-4-7-10-17-16-18-14-8-5-6-9-15(14)19(16)11-13(21-17)12-20-17/h5-6,8-9,13H,2-4,7,10-12H2,1H3/t13-,17+/m0/s1
【InChIKey】
InChIKey=XNGRXGBEOFHBQA-SUMWQHHRSA-N
【SMILES】
CCCCCC[C@]12c3nc4ccccc4n3C[C@H](O1)CO2
【MOL File】
1,4-EPOXY-1H,3H-(1,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-EPOXY-1H,3H-(1,4)OXAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-HEXYL-.cml