126681-64-9
N-(2,3,4,4A,5,6-HEXAHYDRO-4A-(HYDROXYMETHYL)-3-OXOBENZO(H)CINNOLIN-8-YL)ACETAMIDE
NameN-(2,3,4,4A,5,6-HEXAHYDRO-4A-(HYDROXYMETHYL)-3-OXOBENZO(H)CINNOLIN-8-YL)ACETAMIDE
1Identification
【Name】
N-(2,3,4,4A,5,6-HEXAHYDRO-4A-(HYDROXYMETHYL)-3-OXOBENZO(H)CINNOLIN-8-YL)ACETAMIDE
【CAS】
【MDL】
MFCD01670771
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H17 N3 O3
【pro_molWeight】
287.317
【Inchi】
InChI=1S/C15H17N3O3/c1-9(20)16-11-2-3-12-10(6-11)4-5-15(8-19)7-13(21)17-18-14(12)15/h2-3,6,19H,4-5,7-8H2,1H3,(H,16,20)(H,17,21)
【InChIKey】
InChIKey=QQSQCRYLPKYKSA-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1ccc2c(c1)CCC3(C2=NNC(=O)C3)CO
【MOL File】
N-(2,3,4,4A,5,6-HEXA….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,3,4,4A,5,6-HEXAHYDRO-4A-(HYDROXYMETHYL)-3-OXOBENZO(H)CINNOLIN-8-YL)ACETAMIDE.cml