1-{3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
1-{3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | P936-0515 |
| Compound Name: | 1-{3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 326.44 |
| Molecular Formula: | C19 H26 N4 O |
| Smiles: | CCn1cnnc1CC1CCN(C1)C(CCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5475 |
| logD: | 2.547 |
| logSw: | -2.3749 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.716 |
| InChI Key: | FTHWICGEFGUGHD-KRWDZBQOSA-N |