{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(isoquinolin-1-yl)methanone
Chemical Structure Depiction of
{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(isoquinolin-1-yl)methanone
{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(isoquinolin-1-yl)methanone
Compound characteristics
| Compound ID: | S564-0558 |
| Compound Name: | {4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(isoquinolin-1-yl)methanone |
| Molecular Weight: | 361.45 |
| Molecular Formula: | C21 H23 N5 O |
| Smiles: | C1CN(CCC1Cc1nnc(C2CC2)[nH]1)C(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6735 |
| logD: | 2.67 |
| logSw: | -2.9311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.46 |
| InChI Key: | ZTOCDBSMDPQZHX-UHFFFAOYSA-N |