4-[(4-methylphenyl)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-methylphenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-methylphenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0134 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3c(C)ccs3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2092 |
| logD: | 4.2086 |
| logSw: | -3.9806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.414 |
| InChI Key: | LMJAHEQINFGEJI-UHFFFAOYSA-N |