66441-42-7
7-ETHYL-4-OXO-2-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
Name7-ETHYL-4-OXO-2-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
7-ETHYL-4-OXO-2-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519997
【English Synonyms】
【Formula】
C16 H13 N O3 S
【MolWeight】
299.349
【Inchi】
InChI=1S/C16H13NO3S/c1-2-17-9-12(16(19)20)14(18)11-8-13(21-15(11)17)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,19,20)
【InChIKey】
InChIKey=BAUUZRJPTLVHQP-UHFFFAOYSA-N
【SMILES】
CCn1cc(c(=O)c2c1sc(c2)c3ccccc3)C(=O)O
【MOL File】
7-ETHYL-4-OXO-2-PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-ETHYL-4-OXO-2-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID.cml