methyl 4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate
methyl 4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 5629-1205 |
| Compound Name: | methyl 4-[(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]benzoate |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H15 N3 O4 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccccc3)=N2)=O)S1)=O)\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2031 |
| logD: | 3.2031 |
| logSw: | -3.3469 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.726 |
| InChI Key: | PPVBRMCNLCXDGR-UHFFFAOYSA-N |