1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | P937-2655 |
| Compound Name: | 1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C20 H26 N4 O |
| Smiles: | C(CC(N1CCC(Cc2nnc(C3CC3)[nH]2)C1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.218 |
| logD: | 3.2116 |
| logSw: | -3.3595 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.686 |
| InChI Key: | XXOMMFSXPJXDOS-INIZCTEOSA-N |