2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Chemical Structure Depiction of
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | D432-0002 |
| Compound Name: | 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C19 H18 Br N3 O3 S |
| Smiles: | CC(C(O)=O)Sc1nnc(COc2cccc(c2)[Br])n1Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7448 |
| logD: | 0.6897 |
| logSw: | -3.9546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.124 |
| InChI Key: | HRCZTQCAHBBBEM-ZDUSSCGKSA-N |