4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-bromo-6-methoxyphenyl acetate
Chemical Structure Depiction of
4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-bromo-6-methoxyphenyl acetate
4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-bromo-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5629-1159 |
| Compound Name: | 4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-bromo-6-methoxyphenyl acetate |
| Molecular Weight: | 514.35 |
| Molecular Formula: | C22 H16 Br N3 O5 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccccc3)=N2)=O)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2586 |
| logD: | 3.2586 |
| logSw: | -3.6043 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.107 |
| InChI Key: | XXAZKOHRPKUIOX-UHFFFAOYSA-N |