4-benzyl-3-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
4-benzyl-3-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P936-3569 |
| Compound Name: | 4-benzyl-3-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | COc1cccc(c1)S(N1CCC(Cc2nncn2Cc2ccccc2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7923 |
| logD: | 2.7923 |
| logSw: | -3.3772 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.853 |
| InChI Key: | CZDZJEZGIOOQNG-SFHVURJKSA-N |