2-bromo-4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-6-methoxyphenyl acetate
2-bromo-4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5629-1158 |
| Compound Name: | 2-bromo-4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-6-methoxyphenyl acetate |
| Molecular Weight: | 500.33 |
| Molecular Formula: | C21 H14 Br N3 O5 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(c3ccccc3)=N2)=O)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1253 |
| logD: | 3.1253 |
| logSw: | -3.4692 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.203 |
| InChI Key: | USYVJXCMSMQLSP-UHFFFAOYSA-N |