927611-52-7
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(4-FLUORO-2-NITROPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(4-FLUORO-2-NITROPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
pro_formulaC20 H23 F N4 O3
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(4-FLUORO-2-NITROPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151995
【EnglishSynonyms】
【pro_formula】
C20 H23 F N4 O3
【pro_molWeight】
386.425
【Inchi】
InChI=1S/C20H23FN4O3/c21-17-7-8-18(19(13-17)25(27)28)22-20(26)15-24-10-4-9-23(11-12-24)14-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,22,26)
【InChIKey】
InChIKey=GRCAIXYBQXNJCX-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2CCCN(CC2)CC(=O)Nc3ccc(cc3[N+](=O)[O-])F
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(4-FLUORO-2-NITROPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-.cml