MLS000588585
(6E)-6-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((2,5-dimethyl-1-(m-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|6-[1-(2,5-Dimethyl-1-m-tolyl-1H-pyrrol-3-yl)-meth-(E)-ylidene]-5-imino-2-propyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H23N5OS |
|---|---|
| Molecular Weight | 405.16232 g/mol |
| LogP | 4.82183 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.16232 |
| Monoisotopic Mass | 405.16232 |
| Heavy Atoms | 29 |
| Complexity | 1122.2175 |
Chemical Identifiers
| CAS Number | 1164538-76-4 |
|---|---|
| SMILES | CCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC(=C4)C)C)/C(=O)N=C2S1 |
Product Overview
MLS000588585 (CAS 1164538-76-4), with molecular formula C22H23N5OS and molecular weight 405.16232 g/mol. IUPAC: (6E)-6-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.