4-benzyl-3-{[1-(1-ethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-{[1-(1-ethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
4-benzyl-3-{[1-(1-ethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P936-3582 |
| Compound Name: | 4-benzyl-3-{[1-(1-ethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C19 H24 N6 O2 S |
| Smiles: | CCn1cc(cn1)S(N1CCC(Cc2nncn2Cc2ccccc2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2684 |
| logD: | 1.2684 |
| logSw: | -2.1676 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.812 |
| InChI Key: | KXBONAGAYRPEHR-KRWDZBQOSA-N |