1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S564-0555 |
| Compound Name: | 1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | C(CC(N1CCC(CC1)Cc1nnc(C2CC2)[nH]1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.54 |
| logD: | 3.5365 |
| logSw: | -3.657 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.386 |
| InChI Key: | IWGHHWCWIYRRJH-UHFFFAOYSA-N |