3-[(2-chlorophenoxy)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-[(2-chlorophenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(2-chlorophenoxy)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: | V024-5475 |
| Compound Name: | 3-[(2-chlorophenoxy)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: | 350.82 |
| Molecular Formula: | C15 H15 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(=C)CN1C(CSc2nnc(COc3ccccc3[Cl])n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4756 |
| logD: | 2.4756 |
| logSw: | -2.8761 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.02 |
| InChI Key: | GLEJEUBSPHZGQA-UHFFFAOYSA-N |