3-methyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one
Chemical Structure Depiction of
3-methyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one
3-methyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | T501-0448 |
| Compound Name: | 3-methyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one |
| Molecular Weight: | 292.42 |
| Molecular Formula: | C16 H28 N4 O |
| Smiles: | CC(C)CC(N1CCCC(Cc2nncn2C(C)C)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2153 |
| logD: | 2.2148 |
| logSw: | -2.0347 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.688 |
| InChI Key: | VCVNTAZBNHRRIJ-CQSZACIVSA-N |