59902-16-8
4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
Name4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
1Identification
【Name】
4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
【CAS】
【MDL】
MFCD06660375
【English Synonyms】
【Formula】
C18 H20 N2 O3
【MolWeight】
312.367
【Inchi】
InChI=1S/C18H20N2O3/c1-21-16-10-12(11-17(22-2)18(16)23-3)13-8-9-19-14-6-4-5-7-15(14)20-13/h4-7,10-11,19H,8-9H2,1-3H3
【InChIKey】
InChIKey=WWCVBSSENYQYSP-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)C2=Nc3ccccc3NCC2
【MOL File】
4-(3,4,5-TRIMETHOXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE.cml