5-cyclopropyl-2-methyl-4-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-2-methyl-4-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-2-methyl-4-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0615 |
| Compound Name: | 5-cyclopropyl-2-methyl-4-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C18 H24 N4 O3 S |
| Smiles: | Cc1ccccc1S(N1CCC(CC1)N1C(C2CC2)=NN(C)C1=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8831 |
| logD: | 2.8805 |
| logSw: | -3.0976 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.36 |
| InChI Key: | LBHQXDURGZZSBF-UHFFFAOYSA-N |