3-[(4-methoxyphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(4-methoxyphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V010-1930 |
| Compound Name: | 3-[(4-methoxyphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | CC(=C)CN1C(CSc2nnc(COc3ccc(cc3)OC)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0633 |
| logD: | 2.0633 |
| logSw: | -2.4687 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.477 |
| InChI Key: | UADQMDBHHANENI-UHFFFAOYSA-N |