3-[(4-bromophenoxy)methyl]-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-bromophenoxy)methyl]-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-bromophenoxy)methyl]-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0867 |
| Compound Name: | 3-[(4-bromophenoxy)methyl]-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 433.33 |
| Molecular Formula: | C17 H17 Br N6 O S |
| Smiles: | CC(C)Cc1cc(c2nn3c(COc4ccc(cc4)[Br])nnc3s2)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2367 |
| logD: | 4.2367 |
| logSw: | -4.2681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.453 |
| InChI Key: | MVGJVEUXCZQCCM-UHFFFAOYSA-N |