927611-82-3
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2-CHLORO-4,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2-CHLORO-4,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
pro_formulaC22 H28 Cl N3 O
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2-CHLORO-4,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09152023
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H28 Cl N3 O
【pro_molWeight】
385.936
【Inchi】
InChI=1S/C22H28ClN3O/c1-17-13-18(2)22(20(23)14-17)24-21(27)16-26-10-6-9-25(11-12-26)15-19-7-4-3-5-8-19/h3-5,7-8,13-14H,6,9-12,15-16H2,1-2H3,(H,24,27)
【InChIKey】
InChIKey=KJBCIFMZKWTBDV-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)Cl)NC(=O)CN2CCCN(CC2)Cc3ccccc3)C
【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-CHLORO-4,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-.cml