{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone
{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S564-0540 |
| Compound Name: | {4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | Cc1ccsc1C(N1CCC(CC1)Cc1nnc(C2CC2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8731 |
| logD: | 2.8696 |
| logSw: | -3.0767 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.932 |
| InChI Key: | OAXGSJOARYKAOL-UHFFFAOYSA-N |