927611-67-4
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2,6-BIS(1-METHYLETHYL)PHENYL]HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2,6-BIS(1-METHYLETHYL)PHENYL]HEXAHYDRO-4-(PHENYLMETHYL)-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2,6-BIS(1-METHYLETHYL)PHENYL]HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09152010
【EnglishSynonyms】
【pro_formula】
C26 H37 N3 O
【pro_molWeight】
407.598
【Inchi】
InChI=1S/C26H37N3O/c1-20(2)23-12-8-13-24(21(3)4)26(23)27-25(30)19-29-15-9-14-28(16-17-29)18-22-10-6-5-7-11-22/h5-8,10-13,20-21H,9,14-19H2,1-4H3,(H,27,30)
【InChIKey】
InChIKey=IRUNNBLHSHSXLT-UHFFFAOYSA-N
【SMILES】
CC(C)c1cccc(c1NC(=O)CN2CCCN(CC2)Cc3ccccc3)C(C)C
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2,6-BIS(1-METHYLETHYL)PHENYL]HEXAHYDRO-4-(PHENYLMETHYL)-.cml