(isoquinolin-1-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
(isoquinolin-1-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
(isoquinolin-1-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S564-0394 |
| Compound Name: | (isoquinolin-1-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C24 H23 N5 O |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccccc2)[nH]1)C(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6781 |
| logD: | 3.6423 |
| logSw: | -3.9244 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.937 |
| InChI Key: | DVJNDWFLUISIOR-UHFFFAOYSA-N |