836661-32-6
2-[1-(5,8-DIHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL)CYCLOPROPYL]-5-(1,2,3,4-OXATRIAZOL-5-YLMETHYLPYRIDINE
Name
2-[1-(5,8-DIHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL)CYCLOPROPYL]-5-(1,2,3,4-OXATRIAZOL-5-YLMETHYLPYRIDINE
pro_formula
C25H28N4O
pro_molWeight
400.523
1Identification
【Name】
2-[1-(5,8-DIHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL)CYCLOPROPYL]-5-(1,2,3,4-OXATRIAZOL-5-YLMETHYLPYRIDINE
【CAS】
【MDL】
MFCD17017844
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25H28N4O
【pro_molWeight】
400.523
【Inchi】
InChI=1S/C25H28N4O/c1-16-12-19-20(24(4,5)9-8-23(19,2)3)14-18(16)25(10-11-25)21-7-6-17(15-26-21)13-22-27-28-29-30-22/h6-9,12,14-15H,10-11,13H2,1-5H3
【InChIKey】
InChIKey=VLVKUXKBNXRCQO-UHFFFAOYSA-N
【SMILES】
CC1=CC2=C(C=C1C1(CC1)C1=CC=C(CC3=NN=NO3)C=N1)C(C)(C)C=CC2(C)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:7.7739
Bulk/Fine:F