581076-65-5
N-(3-GUANIDINO-4-METHYLPHENYL)-4-(METHYLPIPERAZINE-1-YL-METHYL)BENZAMIDE
NameN-(3-GUANIDINO-4-METHYLPHENYL)-4-(METHYLPIPERAZINE-1-YL-METHYL)BENZAMIDE
1Identification
【Name】
N-(3-GUANIDINO-4-METHYLPHENYL)-4-(METHYLPIPERAZINE-1-YL-METHYL)BENZAMIDE
【CAS】
【MDL】
MFCD09753627
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H28 N6 O
【pro_molWeight】
380.493
【Inchi】
InChI=1S/C21H28N6O/c1-14-3-8-18(11-19(14)26-21(22)23)25-20(28)17-6-4-16(5-7-17)13-27-10-9-24-12-15(27)2/h3-8,11,15,24H,9-10,12-13H2,1-2H3,(H,25,28)(H4,22,23,26)
【InChIKey】
InChIKey=IZPADZLZICVDRH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=N)N)NC(=O)c2ccc(cc2)CN3CCNCC3C
【MOL File】
N-(3-GUANIDINO-4-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:5
pro_acceptors:7
XLogP3:-3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(3-GUANIDINO-4-METHYLPHENYL)-4-(METHYLPIPERAZINE-1-YL-METHYL)BENZAMIDE.cml