({4-phenyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-phenyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({4-phenyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | D432-0132 |
| Compound Name: | ({4-phenyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CCCOc1ccc(Cc2nnc(n2c2ccccc2)SCC(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3476 |
| logD: | 0.0551 |
| logSw: | -3.4123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.762 |
| InChI Key: | YMOFBOVWKGHXCA-UHFFFAOYSA-N |