596817-22-0
CARBAMIC ACID, [(3-EXO)-8-(5-CYANOPYRAZINYL)-8-AZABICYCLO[3.2.1]OCT-3-YL]-, 1,1-DIMETHYLETHYL ESTER
NameCARBAMIC ACID, [(3-EXO)-8-(5-CYANOPYRAZINYL)-8-AZABICYCLO[3.2.1]OCT-3-YL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
CARBAMIC ACID, [(3-EXO)-8-(5-CYANOPYRAZINYL)-8-AZABICYCLO[3.2.1]OCT-3-YL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD15071895
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H23 N5 O2
【pro_molWeight】
329.402
【Inchi】
InChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)21-11-6-13-4-5-14(7-11)22(13)15-10-19-12(8-18)9-20-15/h9-11,13-14H,4-7H2,1-3H3,(H,21,23)/t11-,13-,14+
【InChIKey】
InChIKey=CUUFTINTWHIUPD-DEZZGGKRSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2c3cnc(cn3)C#N
【MOL File】
CARBAMIC ACID, [(3-E….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
CARBAMIC ACID, [(3-EXO)-8-(5-CYANOPYRAZINYL)-8-AZABICYCLO[3.2.1]OCT-3-YL]-, 1,1-DIMETHYLETHYL ESTER.cml