2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2851 |
| Compound Name: | 2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)OC)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0808 |
| logD: | 3.0806 |
| logSw: | -3.2294 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.523 |
| InChI Key: | RXKGXOSYOFPUKC-UHFFFAOYSA-N |