5-cyclopropyl-4-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-4-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-4-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0621 |
| Compound Name: | 5-cyclopropyl-4-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CN1C(N(C2CCN(CC2)S(c2ccc3CCCc3c2)(=O)=O)C(C2CC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6962 |
| logD: | 3.6937 |
| logSw: | -3.8173 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.647 |
| InChI Key: | JOIKQMCLABQOEP-UHFFFAOYSA-N |