3-methyl-7-[(3-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-[(3-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-[(3-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0316 |
| Compound Name: | 3-methyl-7-[(3-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C13 H12 N4 O2 S |
| Smiles: | CC1C(N2C(=NN=1)SC(COc1cccc(C)c1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7078 |
| logD: | 2.6281 |
| logSw: | -2.8492 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.672 |
| InChI Key: | FOTBPCRHESNRQA-UHFFFAOYSA-N |