927611-04-9
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
pro_formulaC21 H26 Cl N3 O
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151940
【EnglishSynonyms】
【pro_formula】
C21 H26 Cl N3 O
【pro_molWeight】
371.909
【Inchi】
InChI=1S/C21H26ClN3O/c22-20-9-7-18(8-10-20)15-23-21(26)17-25-12-4-11-24(13-14-25)16-19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,23,26)
【InChIKey】
InChIKey=PSLKDHNMXBHJOG-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2CCCN(CC2)CC(=O)NCc3ccc(cc3)Cl
【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, N-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-4-(PHENYLMETHYL)-.cml