874571-87-6
3-CYCLOHEXYL-2-PHENYL-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
Name3-CYCLOHEXYL-2-PHENYL-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
3-CYCLOHEXYL-2-PHENYL-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16878811
【English Synonyms】
【Formula】
C18 H18 N2 O2 S
【MolWeight】
326.418
【Inchi】
InChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)20(13-9-5-2-6-10-13)16(19-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22)
【InChIKey】
InChIKey=LQDFCZYHQVUFRD-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nc3cc(sc3n2C4CCCCC4)C(=O)O
【MOL File】
3-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
3-CYCLOHEXYL-2-PHENYL-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID.cml