2-bromo-6-methoxy-4-({6-[(4-methylphenyl)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-methylphenyl)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-methylphenyl)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: | C451-0042 |
| Compound Name: | 2-bromo-6-methoxy-4-({6-[(4-methylphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate |
| Molecular Weight: | 528.38 |
| Molecular Formula: | C23 H18 Br N3 O5 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccc(C)cc3)=N2)=O)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.682 |
| logD: | 3.682 |
| logSw: | -4.0632 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.107 |
| InChI Key: | IMZKKDRCVAJYKJ-UHFFFAOYSA-N |