C27H23N5O3S2
(6Z)-5-imino-6-[[3-methoxy-4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-6-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-5-imino-6-[[3-methoxy-4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(Z)-5-imino-6-(3-methoxy-4-(2-(p-tolylthio)ethoxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C27H23N5O3S2 |
|---|---|
| Molecular Weight | 529.1242 g/mol |
| LogP | 5.23719 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1242 |
| Monoisotopic Mass | 529.1242 |
| Heavy Atoms | 37 |
| Complexity | 1436.1555 |
Chemical Identifiers
| CAS Number | 577963-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC |
Product Overview
C27H23N5O3S2 (CAS 577963-63-4), with molecular formula C27H23N5O3S2 and molecular weight 529.1242 g/mol. IUPAC: (6Z)-5-imino-6-[[3-methoxy-4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.