905807-75-2
2-(N-BOC)PIPERAZINE-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID
Name2-(N-BOC)PIPERAZINE-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID
pro_formulaC19 H23 N3 O4 S
1Identification
【Name】
2-(N-BOC)PIPERAZINE-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08458230
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H23 N3 O4 S
【pro_molWeight】
389.474
【Inchi】
InChI=1S/C19H23N3O4S/c1-19(2,3)26-18(25)22-11-9-21(10-12-22)17-20-14(15(27-17)16(23)24)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,23,24)
【InChIKey】
InChIKey=PTRZPTMQAPOMFR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2nc(c(s2)C(=O)O)c3ccccc3
【MOL File】
2-(N-BOC)PIPERAZINE-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(N-BOC)PIPERAZINE-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID.cml