901-90-6
7-METHOXY-1-[(4-METHYLPHENYL)SULFONYL]-2,3-DIHYDROQUINOLIN-4(1H)-ONE
Name7-METHOXY-1-[(4-METHYLPHENYL)SULFONYL]-2,3-DIHYDROQUINOLIN-4(1H)-ONE
1Identification
【Name】
7-METHOXY-1-[(4-METHYLPHENYL)SULFONYL]-2,3-DIHYDROQUINOLIN-4(1H)-ONE
【CAS】
【MDL】
MFCD00667634
【English Synonyms】
【Formula】
C17 H17 N O4 S
【MolWeight】
331.39
【Inchi】
InChI=1S/C17H17NO4S/c1-12-3-6-14(7-4-12)23(20,21)18-10-9-17(19)15-8-5-13(22-2)11-16(15)18/h3-8,11H,9-10H2,1-2H3
【InChIKey】
InChIKey=MKROHIJXKKIMAQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)c3c2cc(cc3)OC
【MOL File】
7-METHOXY-1-[(4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-METHOXY-1-[(4-METHYLPHENYL)SULFONYL]-2,3-DIHYDROQUINOLIN-4(1H)-ONE.cml