5-{1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1260 |
| Compound Name: | 5-{1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(CCc2c[nH]c3ccccc23)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0116 |
| logD: | 3.0054 |
| logSw: | -3.0976 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.08 |
| InChI Key: | OKXUASMJZRZUPW-UHFFFAOYSA-N |