2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | G731-0727 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC(NCCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2756 |
| logD: | 2.0839 |
| logSw: | -3.5699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.33 |
| InChI Key: | VGWRYEUQSMDTCL-UHFFFAOYSA-N |