ethyl 4-[5-({6-[(4-methylphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)furan-2-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-({6-[(4-methylphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)furan-2-yl]benzoate
ethyl 4-[5-({6-[(4-methylphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)furan-2-yl]benzoate
Compound characteristics
| Compound ID: | Y070-3000 |
| Compound Name: | ethyl 4-[5-({6-[(4-methylphenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)furan-2-yl]benzoate |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C2/C(N3C(=NC(C(Cc4ccc(C)cc4)=N3)=O)S2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4504 |
| logD: | 5.4504 |
| logSw: | -5.4024 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.875 |
| InChI Key: | VDVKRIJDELAUIS-UHFFFAOYSA-N |