({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | D432-0182 |
| Compound Name: | ({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCCOc1ccc(Cc2nnc(n2Cc2ccccc2)SCC(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6752 |
| logD: | 0.3827 |
| logSw: | -3.7149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.019 |
| InChI Key: | DUFOOEOXRJJEBD-UHFFFAOYSA-N |