927611-64-1
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2-[4-(AMINOSULFONYL)PHENYL]ETHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2-[4-(AMINOSULFONYL)PHENYL]ETHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
pro_formulaC22 H30 N4 O3 S
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2-[4-(AMINOSULFONYL)PHENYL]ETHYL]HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09152007
【EnglishSynonyms】
【pro_formula】
C22 H30 N4 O3 S
【pro_molWeight】
430.57
【Inchi】
InChI=1S/C22H30N4O3S/c23-30(28,29)21-9-7-19(8-10-21)11-12-24-22(27)18-26-14-4-13-25(15-16-26)17-20-5-2-1-3-6-20/h1-3,5-10H,4,11-18H2,(H,24,27)(H2,23,28,29)
【InChIKey】
InChIKey=JLCKEFRTIQJMEO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2CCCN(CC2)CC(=O)NCCc3ccc(cc3)S(=O)(=O)N
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-[2-[4-(AMINOSULFONYL)PHENYL]ETHYL]HEXAHYDRO-4-(PHENYLMETHYL)-.cml