2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1093 |
| Compound Name: | 2-methyl-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | Cc1ccc(C(N2CCC(CC2)C2=NN(C)C(N2CCc2ccccc2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1809 |
| logD: | 4.1808 |
| logSw: | -4.148 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.742 |
| InChI Key: | YKYRVMOEKMDODC-UHFFFAOYSA-N |