4-[(4-methylphenyl)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-methylphenyl)methyl]-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-methylphenyl)methyl]-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0135 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3ccsc3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5214 |
| logD: | 3.5208 |
| logSw: | -3.412 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.414 |
| InChI Key: | JTYMEGODCFJYJR-UHFFFAOYSA-N |