4-cyclopentyl-2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0554 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-[1-(3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | Cc1cccc(c1)S(N1CCC(CC1)C1=NN(C)C(N1C1CCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4826 |
| logD: | 3.4781 |
| logSw: | -3.607 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.395 |
| InChI Key: | LXIICVGCGHVVKT-UHFFFAOYSA-N |