methyl 4-({6-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)benzoate
methyl 4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | C451-0161 |
| Compound Name: | methyl 4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)benzoate |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C21 H14 F N3 O4 S |
| Smiles: | COC(c1ccc(\C=C2/C(N3C(=NC(C(Cc4ccc(cc4)F)=N3)=O)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2322 |
| logD: | 3.2322 |
| logSw: | -3.4391 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.726 |
| InChI Key: | PKOMECUNRQONJY-UHFFFAOYSA-N |