881900-26-1
1-PIPERAZINECARBOXYLIC ACID, 4-(2-CYANO-3-HYDROXYBENZO[B]THIEN-6-YL)-, 1,1-DIMETHYLETHYL ESTER
Name
1-PIPERAZINECARBOXYLIC ACID, 4-(2-CYANO-3-HYDROXYBENZO[B]THIEN-6-YL)-, 1,1-DIMETHYLETHYL ESTER
Formula
C18H21N3O3S
MolWeight
359.448
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-(2-CYANO-3-HYDROXYBENZO[B]THIEN-6-YL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13184617
【English Synonyms】
【Formula】
C18H21N3O3S
【MolWeight】
359.448
【Inchi】
InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-8-6-20(7-9-21)12-4-5-13-14(10-12)25-15(11-19)16(13)22/h4-5,10,22H,6-9H2,1-3H3
【InChIKey】
InChIKey=CUYCRHKIUNRWOG-UHFFFAOYSA-N
【SMILES】
C(#N)C1=C(C2=C(S1)C=C(C=C2)N2CCN(CC2)C(=O)OC(C)(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0577
Bulk/Fine:F