1172066-38-4
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD16039030
【English Synonyms】
【Formula】
C16 H21 Br N4 O2
【MolWeight】
381.272
【Inchi】
InChI=1S/C16H21BrN4O2/c1-16(2,3)23-15(22)21-8-6-20(7-9-21)13-11-4-5-18-14(11)19-10-12(13)17/h4-5,10H,6-9H2,1-3H3,(H,18,19)
【InChIKey】
InChIKey=OYHQCEIGJLIAAA-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2c3cc[nH]c3ncc2Br
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-, 1,1-DIMETHYLETHYL ESTER.cml