4-[(4-methoxyphenyl)methyl]-5-[1-(5-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-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-methoxyphenyl)methyl]-5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1828 |
| Compound Name: | 4-[(4-methoxyphenyl)methyl]-5-[1-(5-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: | Cc1ccc(C(N2CCC(CC2)C2=NNC(N2Cc2ccc(cc2)OC)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0382 |
| logD: | 4.0376 |
| logSw: | -4.0076 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.958 |
| InChI Key: | ICTQWMUNHPBCRH-UHFFFAOYSA-N |