7-{[(4-bromophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-{[(4-bromophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-{[(4-bromophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D035-0175 |
| Compound Name: | 7-{[(4-bromophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 355.23 |
| Molecular Formula: | C11 H7 Br N4 O S2 |
| Smiles: | C(c1ccc(cc1)[Br])SC1=NN2C(=NN=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3999 |
| logD: | 3.3838 |
| logSw: | -3.5898 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.404 |
| InChI Key: | UYUDCPBCYWVRAR-UHFFFAOYSA-N |