(3,4-dimethoxyphenyl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
(3,4-dimethoxyphenyl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
(3,4-dimethoxyphenyl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S564-0417 |
| Compound Name: | (3,4-dimethoxyphenyl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(N1CCC(CC1)Cc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9157 |
| logD: | 2.8799 |
| logSw: | -3.4607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.651 |
| InChI Key: | BKLGPTLRDTYVOV-UHFFFAOYSA-N |