({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | D432-0179 |
| Compound Name: | ({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 434.31 |
| Molecular Formula: | C18 H16 Br N3 O3 S |
| Smiles: | C(c1ccccc1)n1c(COc2cccc(c2)[Br])nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2674 |
| logD: | -0.0251 |
| logSw: | -3.3577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.1 |
| InChI Key: | ZVBGMIYCBIZKSM-UHFFFAOYSA-N |