927611-49-2
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-IODOPHENYL)-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-IODOPHENYL)-4-(PHENYLMETHYL)-
pro_formulaC20 H24 I N3 O
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-IODOPHENYL)-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151992
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H24 I N3 O
【pro_molWeight】
449.33
【Inchi】
InChI=1S/C20H24IN3O/c21-18-9-4-5-10-19(18)22-20(25)16-24-12-6-11-23(13-14-24)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,25)
【InChIKey】
InChIKey=NKBZDUQJLWWQOU-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2CCCN(CC2)CC(=O)Nc3ccccc3I
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-IODOPHENYL)-4-(PHENYLMETHYL)-.cml