927611-55-0
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[(3,4-DIMETHOXYPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[(3,4-DIMETHOXYPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[(3,4-DIMETHOXYPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151998
【EnglishSynonyms】
【pro_formula】
C23 H31 N3 O3
【pro_molWeight】
397.516
【Inchi】
InChI=1S/C23H31N3O3/c1-28-21-10-9-20(15-22(21)29-2)16-24-23(27)18-26-12-6-11-25(13-14-26)17-19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16-18H2,1-2H3,(H,24,27)
【InChIKey】
InChIKey=ZPKHKQVMTBELHE-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)CNC(=O)CN2CCCN(CC2)Cc3ccccc3
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[(3,4-DIMETHOXYPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-.cml