731801-16-4
1-(([1-(2-METHOXY-5-METHYLPHENYL)-1H-TETRAZOL-5-YL]THIO)ACETYL)PIPERIDINE-4-CARBOXYLIC ACID
Name1-(([1-(2-METHOXY-5-METHYLPHENYL)-1H-TETRAZOL-5-YL]THIO)ACETYL)PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-(([1-(2-METHOXY-5-METHYLPHENYL)-1H-TETRAZOL-5-YL]THIO)ACETYL)PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04627149
【English Synonyms】
【Formula】
C17 H21 N5 O4 S
【MolWeight】
391.45
【Inchi】
InChI=1S/C17H21N5O4S/c1-11-3-4-14(26-2)13(9-11)22-17(18-19-20-22)27-10-15(23)21-7-5-12(6-8-21)16(24)25/h3-4,9,12H,5-8,10H2,1-2H3,(H,24,25)
【InChIKey】
InChIKey=LZXKQJZVBAAUMK-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnn2)SCC(=O)N3CCC(CC3)C(=O)O)OC
【MOL File】
1-(([1-(2-METHOXY-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(([1-(2-METHOXY-5-METHYLPHENYL)-1H-TETRAZOL-5-YL]THIO)ACETYL)PIPERIDINE-4-CARBOXYLIC ACID.cml