(isoquinolin-1-yl){4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
(isoquinolin-1-yl){4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
(isoquinolin-1-yl){4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S564-0036 |
| Compound Name: | (isoquinolin-1-yl){4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 335.41 |
| Molecular Formula: | C19 H21 N5 O |
| Smiles: | Cc1nnc(CC2CCN(CC2)C(c2c3ccccc3ccn2)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.012 |
| logD: | 2.0067 |
| logSw: | -2.6297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.822 |
| InChI Key: | VTCZCJJJNNCREC-UHFFFAOYSA-N |