7-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D035-0117 |
| Compound Name: | 7-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 369.26 |
| Molecular Formula: | C12 H9 Br N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9566 |
| logD: | 3.9381 |
| logSw: | -3.9587 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.689 |
| InChI Key: | ZKNPBHSGKKOJED-UHFFFAOYSA-N |