67637-70-1
7-ETHYL-2-METHYL-4-OXO-3-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
Name7-ETHYL-2-METHYL-4-OXO-3-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
7-ETHYL-2-METHYL-4-OXO-3-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519999
【English Synonyms】
【Formula】
C17 H15 N O3 S
【MolWeight】
313.375
【Inchi】
InChI=1S/C17H15NO3S/c1-3-18-9-12(17(20)21)15(19)14-13(10(2)22-16(14)18)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,20,21)
【InChIKey】
InChIKey=IGIIPIPRCYAWDH-UHFFFAOYSA-N
【SMILES】
CCn1cc(c(=O)c2c1sc(c2c3ccccc3)C)C(=O)O
【MOL File】
7-ETHYL-2-METHYL-4-O….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-2-METHYL-4-OXO-3-PHENYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID.cml