927611-28-7
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(3,4-DIMETHOXYPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(3,4-DIMETHOXYPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(3,4-DIMETHOXYPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151974
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H29 N3 O3
【pro_molWeight】
383.489
【Inchi】
InChI=1S/C22H29N3O3/c1-27-20-10-9-19(15-21(20)28-2)23-22(26)17-25-12-6-11-24(13-14-25)16-18-7-4-3-5-8-18/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3,(H,23,26)
【InChIKey】
InChIKey=OKHBVHOGSNKOIO-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)NC(=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)HEXAHYDRO-4-(PHENYLMETHYL)-.cml