133486-01-8
4-[2-BUTYL-5-(2-METHOXYCARBONYL-3-THIOPHEN-2-YL-PROPENYL)-IMIDAZOL-1-YLMETHYL]-BENZOIC ACID
Name4-[2-BUTYL-5-(2-METHOXYCARBONYL-3-THIOPHEN-2-YL-PROPENYL)-IMIDAZOL-1-YLMETHYL]-BENZOIC ACID
1Identification
【Name】
4-[2-BUTYL-5-(2-METHOXYCARBONYL-3-THIOPHEN-2-YL-PROPENYL)-IMIDAZOL-1-YLMETHYL]-BENZOIC ACID
【CAS】
【MDL】
MFCD09955143
【English Synonyms】
【Formula】
C24 H26 N2 O4 S
【MolWeight】
438.545
【Inchi】
InChI=1S/C24H26N2O4S/c1-3-4-7-22-25-15-20(13-19(24(29)30-2)14-21-6-5-12-31-21)26(22)16-17-8-10-18(11-9-17)23(27)28/h5-6,8-13,15H,3-4,7,14,16H2,1-2H3,(H,27,28)/b19-13+
【InChIKey】
InChIKey=WMVXIRRGJUMLEZ-CPNJWEJPSA-N
【SMILES】
CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C(\Cc3cccs3)/C(=O)OC
【MOL File】
4-[2-BUTYL-5-(2-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[2-BUTYL-5-(2-METHOXYCARBONYL-3-THIOPHEN-2-YL-PROPENYL)-IMIDAZOL-1-YLMETHYL]-BENZOIC ACID.cml