5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5654 |
| Compound Name: | 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 463.39 |
| Molecular Formula: | C20 H23 Br N4 O2 S |
| Smiles: | C(CN1CCOCC1)Cn1c(COc2ccc3cc(ccc3c2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.1563 |
| logD: | 2.7533 |
| logSw: | -3.297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.788 |
| InChI Key: | HLLPCAURYATUPA-UHFFFAOYSA-N |