874571-86-5
1-CYCLOHEXYL-2-PHENYL-1H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
Name1-CYCLOHEXYL-2-PHENYL-1H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
1-CYCLOHEXYL-2-PHENYL-1H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16878810
【English Synonyms】
【Formula】
C18 H18 N2 O2 S
【MolWeight】
326.418
【Inchi】
InChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)19-16(12-7-3-1-4-8-12)20(14)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22)
【InChIKey】
InChIKey=AMZYXSDXTBKFSI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nc3c(n2C4CCCCC4)cc(s3)C(=O)O
【MOL File】
1-CYCLOHEXYL-2-PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-CYCLOHEXYL-2-PHENYL-1H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID.cml