133211-51-5
2-PHENYL-3-THIOXO-2,3,10,10A-TETRAHYDROIMIDAZO[1,5-B]ISOQUINOLIN-1(5H)-ONE
Name2-PHENYL-3-THIOXO-2,3,10,10A-TETRAHYDROIMIDAZO[1,5-B]ISOQUINOLIN-1(5H)-ONE
1Identification
【Name】
2-PHENYL-3-THIOXO-2,3,10,10A-TETRAHYDROIMIDAZO[1,5-B]ISOQUINOLIN-1(5H)-ONE
【CAS】
【MDL】
MFCD01316083
【English Synonyms】
【Formula】
C17 H14 N2 O S
【MolWeight】
294.377
【Inchi】
InChI=1S/C17H14N2OS/c20-16-15-10-12-6-4-5-7-13(12)11-18(15)17(21)19(16)14-8-2-1-3-9-14/h1-9,15H,10-11H2
【InChIKey】
InChIKey=ZOJHMHHALRFRQE-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2C(=O)C3Cc4ccccc4CN3C2=S
【MOL File】
2-PHENYL-3-THIOXO-2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PHENYL-3-THIOXO-2,3,10,10A-TETRAHYDROIMIDAZO[1,5-B]ISOQUINOLIN-1(5H)-ONE.cml