4-[(4-methoxyphenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-methoxyphenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-methoxyphenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1806 |
| Compound Name: | 4-[(4-methoxyphenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | Cc1ccsc1C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7682 |
| logD: | 3.7676 |
| logSw: | -3.8186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.958 |
| InChI Key: | XGOYGSSDYIOVHR-UHFFFAOYSA-N |