4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P936-2240 |
| Compound Name: | 4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C16 H22 N4 O2 S |
| Smiles: | CCS(N1CCC(Cc2nncn2Cc2ccccc2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4655 |
| logD: | 1.4654 |
| logSw: | -2.237 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.475 |
| InChI Key: | CCQRNHBVVPABNG-HNNXBMFYSA-N |