852898-36-3
3-CYCLOHEXYL-2-[4-(PHENYLMETHOXY)PHENYL]-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
Name3-CYCLOHEXYL-2-[4-(PHENYLMETHOXY)PHENYL]-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
3-CYCLOHEXYL-2-[4-(PHENYLMETHOXY)PHENYL]-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16877986
【English Synonyms】
【Formula】
C25 H24 N2 O3 S
【MolWeight】
432.542
【Inchi】
InChI=1S/C25H24N2O3S/c28-25(29)22-15-21-24(31-22)27(19-9-5-2-6-10-19)23(26-21)18-11-13-20(14-12-18)30-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10,16H2,(H,28,29)
【InChIKey】
InChIKey=YKYCGDROFNADKS-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)COc2ccc(cc2)c3nc4cc(sc4n3C5CCCCC5)C(=O)O
【MOL File】
3-CYCLOHEXYL-2-[4-(P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CYCLOHEXYL-2-[4-(PHENYLMETHOXY)PHENYL]-3H-THIENO[2,3-D]IMIDAZOLE-5-CARBOXYLIC ACID.cml