4-benzyl-3-{[1-(phenylmethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-{[1-(phenylmethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
4-benzyl-3-{[1-(phenylmethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P936-3561 |
| Compound Name: | 4-benzyl-3-{[1-(phenylmethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | C1CN(CC1Cc1nncn1Cc1ccccc1)S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4299 |
| logD: | 2.4298 |
| logSw: | -2.5749 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.204 |
| InChI Key: | AFPVGKJKTQGXGB-FQEVSTJZSA-N |