AC1NZG5X
(6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-6-{3-chloro-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(Z)-6-(3-chloro-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C27H26ClN5O3S |
|---|---|
| Molecular Weight | 535.1445 g/mol |
| LogP | 5.24919 |
| Topological Polar Surface Area | 98.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1445 |
| Monoisotopic Mass | 535.1445 |
| Heavy Atoms | 37 |
| Complexity | 1363.5603 |
Chemical Identifiers
| CAS Number | 845809-48-5 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCCC5)Cl |
Product Overview
AC1NZG5X (CAS 845809-48-5), with molecular formula C27H26ClN5O3S and molecular weight 535.1445 g/mol. IUPAC: (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.