4-benzyl-5-[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S622-0242 |
| Compound Name: | 4-benzyl-5-[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCCN2S(c2cccc(c2)OC)(=O)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2042 |
| logD: | 3.2042 |
| logSw: | -3.5326 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.188 |
| InChI Key: | DKXJMASAIRXZBP-IBGZPJMESA-N |