6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-3619 |
| Compound Name: | 6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | C(c1ccc2c(c1)OCCO2)c1nn2c(CN3CCN(CC3)c3ccccc3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.8526 |
| logD: | 1.8517 |
| logSw: | -2.2837 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.281 |
| InChI Key: | MIWXRVYABKNWQB-UHFFFAOYSA-N |