904817-78-3
2-(4-[(TERT-BUTOXY)CARBONYL]-3-METHYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLIC ACID
Name2-(4-[(TERT-BUTOXY)CARBONYL]-3-METHYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
2-(4-[(TERT-BUTOXY)CARBONYL]-3-METHYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06245573
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H23 N3 O4
【pro_molWeight】
321.375
【Inchi】
InChI=1S/C16H23N3O4/c1-11-10-18(13-12(14(20)21)6-5-7-17-13)8-9-19(11)15(22)23-16(2,3)4/h5-7,11H,8-10H2,1-4H3,(H,20,21)
【InChIKey】
InChIKey=PZDHQKRJVKDSKS-UHFFFAOYSA-N
【SMILES】
CC1CN(CCN1C(=O)OC(C)(C)C)c2c(cccn2)C(=O)O
【MOL File】
2-(4-[(TERT-BUTOXY)C….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(4-[(TERT-BUTOXY)CARBONYL]-3-METHYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLIC ACID.cml