(2E)-13-acetyl-2-({5-[(2,3-dichlorophenoxy)methyl]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Chemical Structure Depiction of
(2E)-13-acetyl-2-({5-[(2,3-dichlorophenoxy)methyl]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
(2E)-13-acetyl-2-({5-[(2,3-dichlorophenoxy)methyl]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Compound characteristics
| Compound ID: | Y501-7613 |
| Compound Name: | (2E)-13-acetyl-2-({5-[(2,3-dichlorophenoxy)methyl]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 555.44 |
| Molecular Formula: | C27 H20 Cl2 N2 O5 S |
| Smiles: | CC(C1C2c3ccccc3OC1(C)N=C1N2C(/C(=C\c2ccc(COc3cccc(c3[Cl])[Cl])o2)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0907 |
| logD: | 6.0693 |
| logSw: | -6.1759 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.545 |
| InChI Key: | JICIUTSOEUDUOM-UHFFFAOYSA-N |