1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(1H-indol-3-yl)butan-1-one
Chemical Structure Depiction of
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(1H-indol-3-yl)butan-1-one
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(1H-indol-3-yl)butan-1-one
Compound characteristics
| Compound ID: | S517-1402 |
| Compound Name: | 1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(1H-indol-3-yl)butan-1-one |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C22 H29 N5 O |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(CCCc1c[nH]c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5922 |
| logD: | 2.5882 |
| logSw: | -2.7744 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.287 |
| InChI Key: | KXHSVKFFWVDDDU-UHFFFAOYSA-N |