4-[(4-methoxyphenyl)methyl]-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-methoxyphenyl)methyl]-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-methoxyphenyl)methyl]-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1807 |
| Compound Name: | 4-[(4-methoxyphenyl)methyl]-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | COc1ccc(CN2C(C3CCN(CC3)C(c3ccsc3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0804 |
| logD: | 3.0798 |
| logSw: | -3.1776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.958 |
| InChI Key: | CTPOSDUWMJWVNW-UHFFFAOYSA-N |