927611-20-9
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2,6-DICHLORO-3-METHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2,6-DICHLORO-3-METHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
pro_formulaC21 H25 Cl2 N3 O
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2,6-DICHLORO-3-METHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151964
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H25 Cl2 N3 O
【pro_molWeight】
406.354
【Inchi】
InChI=1S/C21H25Cl2N3O/c1-16-8-9-18(22)21(20(16)23)24-19(27)15-26-11-5-10-25(12-13-26)14-17-6-3-2-4-7-17/h2-4,6-9H,5,10-15H2,1H3,(H,24,27)
【InChIKey】
InChIKey=CBJHDYQRWDQDJG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1Cl)NC(=O)CN2CCCN(CC2)Cc3ccccc3)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-(2,6-DICHLORO-3-METHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-.cml