2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Chemical Structure Depiction of
2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Compound characteristics
| Compound ID: | D432-0015 |
| Compound Name: | 2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CCCOc1ccc(Cc2nnc(n2Cc2ccccc2)SCCO)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7684 |
| logD: | 3.7684 |
| logSw: | -3.794 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.29 |
| InChI Key: | HHJRQMQMSGYGJJ-UHFFFAOYSA-N |