2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1211 |
| Compound Name: | 2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | Cc1cccc(c1)S(N1CCC(CC1)C1=NN(C)C(N1CCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1623 |
| logD: | 4.1623 |
| logSw: | -4.2359 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.786 |
| InChI Key: | XGPYPEPAELUMCX-UHFFFAOYSA-N |