AC1O3C6B
(6Z)-6-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6Z)-6-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|4-[(6Z)-6-{[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrol-3-yl]methylidene}-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenolate
| Molecular Formula | C23H23N5O3S |
|---|---|
| Molecular Weight | 449.15216 g/mol |
| LogP | 0.81131 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.15216 |
| Monoisotopic Mass | 449.15216 |
| Heavy Atoms | 32 |
| Complexity | 1473.3634 |
Chemical Identifiers
| CAS Number | 896830-03-8 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2CCCO2)C)/C=C\3/C(=N)N4C(=NC3=O)SC(=C5C=CC(=O)C=C5)N4 |
Product Overview
AC1O3C6B (CAS 896830-03-8), with molecular formula C23H23N5O3S and molecular weight 449.15216 g/mol. IUPAC: (6Z)-6-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.