125656-82-8
8-METHOXY-1,3-DIMETHYL-12-THIOXO-PYRIDO[1',2':3,4]IMIDAZO[1,2-A]BENZIMIDAZOL-2-(12H)-ONE
Name8-METHOXY-1,3-DIMETHYL-12-THIOXO-PYRIDO[1',2':3,4]IMIDAZO[1,2-A]BENZIMIDAZOL-2-(12H)-ONE
1Identification
【Name】
8-METHOXY-1,3-DIMETHYL-12-THIOXO-PYRIDO[1',2':3,4]IMIDAZO[1,2-A]BENZIMIDAZOL-2-(12H)-ONE
【CAS】
【MDL】
MFCD09840886
【English Synonyms】
【Formula】
C16 H13 N3 O2 S
【MolWeight】
311.364
【Inchi】
InChI=1S/C16H13N3O2S/c1-8-7-18-13(9(2)14(8)20)15(22)19-12-5-4-10(21-3)6-11(12)17-16(18)19/h4-7H,1-3H3
【InChIKey】
InChIKey=ZHCRAWLAWCUHBF-UHFFFAOYSA-N
【SMILES】
Cc1cn2c(c(c1=O)C)c(=S)n3c2nc4c3ccc(c4)OC
【MOL File】
8-METHOXY-1,3-DIMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-METHOXY-1,3-DIMETHYL-12-THIOXO-PYRIDO[1',2':3,4]IMIDAZO[1,2-A]BENZIMIDAZOL-2-(12H)-ONE.cml