2-cyclohexyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
2-cyclohexyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | P937-3750 |
| Compound Name: | 2-cyclohexyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | C1CCC(CC1)CC(N1CCC(Cc2nnc(c3ccncc3)[nH]2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9399 |
| logD: | 2.9167 |
| logSw: | -3.0883 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.783 |
| InChI Key: | ZTTYJIPIHZYRAI-INIZCTEOSA-N |