4-cyclopentyl-5-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-5-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0419 |
| Compound Name: | 4-cyclopentyl-5-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C20 H28 N4 O4 S |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)S(c2cccc(c2)OC)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0374 |
| logD: | 3.033 |
| logSw: | -3.3153 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.939 |
| InChI Key: | KZGIKGGJLPSXHL-UHFFFAOYSA-N |