5-(2-methylprop-2-en-1-yl)-3-(phenoxymethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
5-(2-methylprop-2-en-1-yl)-3-(phenoxymethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
5-(2-methylprop-2-en-1-yl)-3-(phenoxymethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V025-7087 |
| Compound Name: | 5-(2-methylprop-2-en-1-yl)-3-(phenoxymethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C15 H16 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(=C)CN1C(CSc2nnc(COc3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0524 |
| logD: | 2.0524 |
| logSw: | -2.2942 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.933 |
| InChI Key: | NSHUYLNDCXXBCB-UHFFFAOYSA-N |