2,6-dimethyl-4-[(6-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
2,6-dimethyl-4-[(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate
2,6-dimethyl-4-[(6-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: | 5629-1197 |
| Compound Name: | 2,6-dimethyl-4-[(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(C)=N2)=O)S1)=O)\c1cc(C)c(c(C)c1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2702 |
| logD: | 2.2702 |
| logSw: | -2.4687 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.017 |
| InChI Key: | KNVAQFZKWVPNQU-UHFFFAOYSA-N |