{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3,4-dimethoxyphenyl)methanone
{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | S564-0581 |
| Compound Name: | {4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(N1CCC(CC1)Cc1nnc(C2CC2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9111 |
| logD: | 1.9075 |
| logSw: | -2.5877 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.175 |
| InChI Key: | QBOHSEWJJHSCCV-UHFFFAOYSA-N |