1-(4-benzylpiperidin-1-yl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperidin-1-yl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-benzylpiperidin-1-yl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G878-0006 |
| Compound Name: | 1-(4-benzylpiperidin-1-yl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | CCn1c(c2c[nH]c3ccccc23)nnc1SCC(N1CCC(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1935 |
| logD: | 5.1935 |
| logSw: | -5.3397 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.957 |
| InChI Key: | JPXNPEDXYUFAMF-UHFFFAOYSA-N |