2-bromo-6-methoxy-4-({6-[(4-methoxyphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-({6-[(4-methoxyphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate
2-bromo-6-methoxy-4-({6-[(4-methoxyphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate
Compound characteristics
| Compound ID: | C451-0093 |
| Compound Name: | 2-bromo-6-methoxy-4-({6-[(4-methoxyphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate |
| Molecular Weight: | 544.38 |
| Molecular Formula: | C23 H18 Br N3 O6 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccc(cc3)OC)=N2)=O)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.241 |
| logD: | 3.241 |
| logSw: | -3.5798 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.65 |
| InChI Key: | YLUMZKATZUBIQW-UHFFFAOYSA-N |