{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone
{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S564-0198 |
| Compound Name: | {4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C16 H22 N4 O S |
| Smiles: | CCc1nnc(CC2CCN(CC2)C(c2c(C)ccs2)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.7235 |
| logD: | 2.7166 |
| logSw: | -2.8421 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.671 |
| InChI Key: | NCAINWGARAXHOE-UHFFFAOYSA-N |