methyl 4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate
methyl 4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 6000-0871 |
| Compound Name: | methyl 4-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate |
| Molecular Weight: | 391.4 |
| Molecular Formula: | C20 H13 N3 O4 S |
| Smiles: | COC(c1ccc(\C=C2/C(N3C(=NC(C(c4ccccc4)=N3)=O)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0698 |
| logD: | 3.0698 |
| logSw: | -3.3146 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.822 |
| InChI Key: | IMAZMOJOSKONPX-UHFFFAOYSA-N |