2-cyclohexyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
2-cyclohexyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P937-4017 |
| Compound Name: | 2-cyclohexyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | C1CCC(CC1)CC(N1CCC(Cc2nnc(c3ccccc3)[nH]2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0839 |
| logD: | 4.0484 |
| logSw: | -4.1502 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.355 |
| InChI Key: | BOESVNPYVUEHBE-UHFFFAOYSA-N |