927611-14-1
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-[3-(4-MORPHOLINYLSULFONYL)PHENYL]-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-[3-(4-MORPHOLINYLSULFONYL)PHENYL]-4-(PHENYLMETHYL)-
pro_formulaC24 H32 N4 O4 S
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-[3-(4-MORPHOLINYLSULFONYL)PHENYL]-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151955
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H32 N4 O4 S
【pro_molWeight】
472.607
【Inchi】
InChI=1S/C24H32N4O4S/c29-24(20-27-11-5-10-26(12-13-27)19-21-6-2-1-3-7-21)25-22-8-4-9-23(18-22)33(30,31)28-14-16-32-17-15-28/h1-4,6-9,18H,5,10-17,19-20H2,(H,25,29)
【InChIKey】
InChIKey=ZIPCXBSFKRMBQO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2CCCN(CC2)CC(=O)Nc3cccc(c3)S(=O)(=O)N4CCOCC4
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-[3-(4-MORPHOLINYLSULFONYL)PHENYL]-4-(PHENYLMETHYL)-.cml