({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | D178-0176 |
| Compound Name: | ({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 420.28 |
| Molecular Formula: | C17 H14 Br N3 O3 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(O)=O)Oc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0075 |
| logD: | -0.285 |
| logSw: | -3.2341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.843 |
| InChI Key: | SACIEJGYEJKDBG-UHFFFAOYSA-N |