AC1LZTPX
(6E)-2-ethylsulfanyl-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-2-(ethylsulfanyl)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-2-ethylsulfanyl-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-2-(ethylthio)-5-imino-6-((1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C21H21N5O2S2 |
|---|---|
| Molecular Weight | 439.11368 g/mol |
| LogP | 4.43251 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.11368 |
| Monoisotopic Mass | 439.11368 |
| Heavy Atoms | 30 |
| Complexity | 1146.2606 |
Chemical Identifiers
| CAS Number | 850237-64-8 |
|---|---|
| SMILES | CCSC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC=C4OC)C)/C(=O)N=C2S1 |
Product Overview
AC1LZTPX (CAS 850237-64-8), with molecular formula C21H21N5O2S2 and molecular weight 439.11368 g/mol. IUPAC: (6E)-2-ethylsulfanyl-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.