7-[(4-tert-butylphenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-[(4-tert-butylphenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-[(4-tert-butylphenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0319 |
| Compound Name: | 7-[(4-tert-butylphenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 330.41 |
| Molecular Formula: | C16 H18 N4 O2 S |
| Smiles: | CC1C(N2C(=NN=1)SC(COc1ccc(cc1)C(C)(C)C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.011 |
| logD: | 3.9313 |
| logSw: | -4.0769 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.672 |
| InChI Key: | BHQZDUZLGUTDBT-UHFFFAOYSA-N |