2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Chemical Structure Depiction of
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Compound characteristics
| Compound ID: | D432-0012 |
| Compound Name: | 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol |
| Molecular Weight: | 420.33 |
| Molecular Formula: | C18 H18 Br N3 O2 S |
| Smiles: | C(c1ccccc1)n1c(COc2cccc(c2)[Br])nnc1SCCO |
| Stereo: | ACHIRAL |
| logP: | 3.3606 |
| logD: | 3.3606 |
| logSw: | -3.4671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.372 |
| InChI Key: | BRSRRKCZMPLYNG-UHFFFAOYSA-N |