4-cyclopentyl-5-[1-(4-ethylbenzene-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-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0528 |
| Compound Name: | 4-cyclopentyl-5-[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCC(CC1)C1=NN(C)C(N1C1CCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9885 |
| logD: | 3.984 |
| logSw: | -3.7978 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.395 |
| InChI Key: | PDWIWFLDEUDFDZ-UHFFFAOYSA-N |